6-amino-N-benzhydrylhexanamide;N-(1-cyclopentylethyl)-3-(6-ethyl-1,3-benzothiazol-2-yl)propanamide;formamide;propanamide

C42H60N6O4S — CID 142442577

IUPAC6-amino-N-benzhydrylhexanamide;N-(1-cyclopentylethyl)-3-(6-ethyl-1,3-benzothiazol-2-yl)propanamide;formamide;propanamide
SMILESCCC(N)=O.CCc1ccc2nc(CCC(=O)NC(C)C3CCCC3)sc2c1.NC=O.NCCCCCC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H26N2OS.C19H24N2O.C3H7NO.CH3NO/c1-3-14-8-9-16-17(12-14)23-19(21-16)11-10-18(22)20-13(2)15-6-4-5-7-15;20-15-9-3-8-14-18(22)21-19(16-10-4-1-5-11-16)17-12-6-2-7-13-17;1-2-3(4)5;2-1-3/h8-9,12-13,15H,3-7,10-11H2,1-2H3,(H,20,22);1-2,4-7,10-13,19H,3,8-9,14-15,20H2,(H,21,22);2H2,1H3,(H2,4,5);1H,(H2,2,3)
InChIKeyHQIUTHFSGCFFEI-UHFFFAOYSA-N
MW745.05 g/mol
LogP6.88
Rot. Bonds15

About 6-amino-N-benzhydrylhexanamide;N-(1-cyclopentylethyl)-3-(6-ethyl-1,3-benzothiazol-2-yl)propanamide;formamide;propanamide

6-amino-N-benzhydrylhexanamide;N-(1-cyclopentylethyl)-3-(6-ethyl-1,3-benzothiazol-2-yl)propanamide;formamide;propanamide (PubChem CID 142442577) has the molecular formula C42H60N6O4S and a molecular weight of 745.05 g/mol. Its IUPAC name is 6-amino-N-benzhydrylhexanamide;N-(1-cyclopentylethyl)-3-(6-ethyl-1,3-benzothiazol-2-yl)propanamide;formamide;propanamide.

Molecular Properties

Compound Name6-amino-N-benzhydrylhexanamide;N-(1-cyclopentylethyl)-3-(6-ethyl-1,3-benzothiazol-2-yl)propanamide;formamide;propanamide
PubChem CID142442577
Molecular FormulaC42H60N6O4S
Molecular Weight745.05 g/mol
Exact Mass744.44
IUPAC Name6-amino-N-benzhydrylhexanamide;N-(1-cyclopentylethyl)-3-(6-ethyl-1,3-benzothiazol-2-yl)propanamide;formamide;propanamide
SMILESCCC(N)=O.CCc1ccc2nc(CCC(=O)NC(C)C3CCCC3)sc2c1.NC=O.NCCCCCC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H26N2OS.C19H24N2O.C3H7NO.CH3NO/c1-3-14-8-9-16-17(12-14)23-19(21-16)11-10-18(22)20-13(2)15-6-4-5-7-15;20-15-9-3-8-14-18(22)21-19(16-10-4-1-5-11-16)17-12-6-2-7-13-17;1-2-3(4)5;2-1-3/h8-9,12-13,15H,3-7,10-11H2,1-2H3,(H,20,22);1-2,4-7,10-13,19H,3,8-9,14-15,20H2,(H,21,22);2H2,1H3,(H2,4,5);1H,(H2,2,3)
InChIKeyHQIUTHFSGCFFEI-UHFFFAOYSA-N
XLogP6.88
TPSA183.29 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.05
LogP ≤ 56.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-amino-N-benzhydrylhexanamide;N-(1-cyclopentylethyl)-3-(6-ethyl-1,3-benzothiazol-2-yl)propanamide;formamide;propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-aminohexanoylamino)-4-methylpentanamide;N-(1-cyclohexyl-3-oxopropan-2-yl)-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide;methanamine;propanamide
CID 142442705
2-(6-aminohexanoylamino)-4-methylpentanamide;3-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-methylpentan-2-yl)propanamide;ethane;formamide
CID 142442833
6-amino-N-(1-cyclohexylethyl)hexanamide
CID 55069317
butane;ethane;3-(6-ethyl-1,3-benzothiazol-2-yl)-N-[2-(methylamino)-1-(oxan-4-yl)ethyl]propanamide;formamide;(E)-4-(methylamino)but-2-enal
CID 142454570
N-[(2S)-1-[[(1S)-1-cyclohexyl-2-(prop-2-enoylamino)ethyl]amino]-3-(6-ethyl-1,3-benzothiazol-2-yl)-1-oxopropan-2-yl]butanamide
CID 167016826
(2S)-N-[(1R)-1-cyclopentyl-4-oxohex-5-enyl]-2-[(6-ethyl-1,3-benzothiazol-2-yl)methyl]-4-oxopentanamide
CID 157484843
3-(1,3-benzothiazol-2-yl)-N-cyclopentylpropanamide
CID 9215184
N-[(1S)-2-amino-1-cyclopentyl-2-oxoethyl]-3-(6-chloro-1,3-benzothiazol-2-yl)-2-(propanoylamino)propanamide
CID 142442809
N-(2-cyanododec-1-en-4-yl)-3-(6-ethyl-1,3-benzothiazol-2-yl)propanamide
CID 167016909
N-[(2S)-2-cyclohexyl-2-[3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanoylamino]ethyl]azetidine-3-carboxamide
CID 174993286
6-amino-2-ethylhexanoic acid;N-(1-cycloheptylethyl)-3-phenylpropanamide;methanol;methylidenecyclopropane
CID 142050055
7-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]heptanamide
CID 119863894

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-benzhydrylhexanamide;N-(1-cyclopentylethyl)-3-(6-ethyl-1,3-benzothiazol-2-yl)propanamide;formamide;propanamide?
The IUPAC name of 6-amino-N-benzhydrylhexanamide;N-(1-cyclopentylethyl)-3-(6-ethyl-1,3-benzothiazol-2-yl)propanamide;formamide;propanamide (CID 142442577) is 6-amino-N-benzhydrylhexanamide;N-(1-cyclopentylethyl)-3-(6-ethyl-1,3-benzothiazol-2-yl)propanamide;formamide;propanamide.
What is the SMILES notation for 6-amino-N-benzhydrylhexanamide;N-(1-cyclopentylethyl)-3-(6-ethyl-1,3-benzothiazol-2-yl)propanamide;formamide;propanamide?
The canonical SMILES for 6-amino-N-benzhydrylhexanamide;N-(1-cyclopentylethyl)-3-(6-ethyl-1,3-benzothiazol-2-yl)propanamide;formamide;propanamide is CCC(N)=O.CCc1ccc2nc(CCC(=O)NC(C)C3CCCC3)sc2c1.NC=O.NCCCCCC(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-amino-N-benzhydrylhexanamide;N-(1-cyclopentylethyl)-3-(6-ethyl-1,3-benzothiazol-2-yl)propanamide;formamide;propanamide?
The InChIKey is HQIUTHFSGCFFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2OS.C19H24N2O.C3H7NO.CH3NO/c1-3-14-8-9-16-17(12-14)23-19(21-16)11-10-18(22)20-13(2)15-6-4-5-7-15;20-15-9-3-8-14-18(22)21-19(16-10-4-1-5-11-16)17-12-6-2-7-13-17;1-2-3(4)5;2-1-3/h8-9,12-13,15H,3-7,10-11H2,1-2H3,(H,20,22);1-2,4-7,10-13,19H,3,8-9,14-15,20H2,(H,21,22);2H2,1H3,(H2,4,5);1H,(H2,2,3).
What are the key properties of 6-amino-N-benzhydrylhexanamide;N-(1-cyclopentylethyl)-3-(6-ethyl-1,3-benzothiazol-2-yl)propanamide;formamide;propanamide?
6-amino-N-benzhydrylhexanamide;N-(1-cyclopentylethyl)-3-(6-ethyl-1,3-benzothiazol-2-yl)propanamide;formamide;propanamide has a molecular weight of 745.05 g/mol, XLogP of 6.88, 15 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-benzhydrylhexanamide;N-(1-cyclopentylethyl)-3-(6-ethyl-1,3-benzothiazol-2-yl)propanamide;formamide;propanamide is sourced from PubChem (CID 142442577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).