N-[3-[3-(1,3-benzoxazol-2-yl)propanoyl-methylamino]propyl]-N-methylpentanamide

C20H29N3O3 — CID 166370199

IUPACN-[3-[3-(1,3-benzoxazol-2-yl)propanoyl-methylamino]propyl]-N-methylpentanamide
SMILESCCCCC(=O)N(C)CCCN(C)C(=O)CCc1nc2ccccc2o1
InChIInChI=1S/C20H29N3O3/c1-4-5-11-19(24)22(2)14-8-15-23(3)20(25)13-12-18-21-16-9-6-7-10-17(16)26-18/h6-7,9-10H,4-5,8,11-15H2,1-3H3
InChIKeyGDBUVCDNYNTINI-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.26
Rot. Bonds10

About N-[3-[3-(1,3-benzoxazol-2-yl)propanoyl-methylamino]propyl]-N-methylpentanamide

N-[3-[3-(1,3-benzoxazol-2-yl)propanoyl-methylamino]propyl]-N-methylpentanamide (PubChem CID 166370199) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[3-[3-(1,3-benzoxazol-2-yl)propanoyl-methylamino]propyl]-N-methylpentanamide.

Molecular Properties

Compound NameN-[3-[3-(1,3-benzoxazol-2-yl)propanoyl-methylamino]propyl]-N-methylpentanamide
PubChem CID166370199
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[3-[3-(1,3-benzoxazol-2-yl)propanoyl-methylamino]propyl]-N-methylpentanamide
SMILESCCCCC(=O)N(C)CCCN(C)C(=O)CCc1nc2ccccc2o1
InChIInChI=1S/C20H29N3O3/c1-4-5-11-19(24)22(2)14-8-15-23(3)20(25)13-12-18-21-16-9-6-7-10-17(16)26-18/h6-7,9-10H,4-5,8,11-15H2,1-3H3
InChIKeyGDBUVCDNYNTINI-UHFFFAOYSA-N
XLogP3.26
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[3-[3-(1,3-benzoxazol-2-yl)propanoyl-methylamino]propyl]-N-methylpentanamide 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

4-[3-(1,3-benzoxazol-2-yl)propanoyl-methylamino]butanoic acid
CID 119172919
3-(1,3-benzoxazol-2-yl)-N-[(4-bromophenyl)methyl]-N-methylpropanamide
CID 9428747
2-pentyl-1,3-benzoxazole
CID 23425
3-(1,3-benzoxazol-2-yl)propanoic acid
CID 2474218
(2S)-2-[3-(1,3-benzoxazol-2-yl)propanoylamino]hexanoic acid
CID 120614345
N-(2-aminoethyl)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylethyl)propanamide;dihydrochloride
CID 120886931
6-(1,3-benzoxazol-2-yl)hexanoic acid
CID 18979147
tert-butyl 3-(1,3-benzoxazol-2-yl)propanoate
CID 10263988
2-[3-(1,3-benzoxazol-2-yl)propanoylamino]-2-phenylbutanoic acid
CID 119201844
amino 4-(1,3-benzoxazol-2-yl)butanoate
CID 174418719
2-ethyl-1,3-benzoxazole
CID 23239
N-butyl-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330704

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1,3-benzoxazol-2-yl)propanoyl-methylamino]propyl]-N-methylpentanamide?
The IUPAC name of N-[3-[3-(1,3-benzoxazol-2-yl)propanoyl-methylamino]propyl]-N-methylpentanamide (CID 166370199) is N-[3-[3-(1,3-benzoxazol-2-yl)propanoyl-methylamino]propyl]-N-methylpentanamide.
What is the SMILES notation for N-[3-[3-(1,3-benzoxazol-2-yl)propanoyl-methylamino]propyl]-N-methylpentanamide?
The canonical SMILES for N-[3-[3-(1,3-benzoxazol-2-yl)propanoyl-methylamino]propyl]-N-methylpentanamide is CCCCC(=O)N(C)CCCN(C)C(=O)CCc1nc2ccccc2o1.
What is the InChIKey of N-[3-[3-(1,3-benzoxazol-2-yl)propanoyl-methylamino]propyl]-N-methylpentanamide?
The InChIKey is GDBUVCDNYNTINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-4-5-11-19(24)22(2)14-8-15-23(3)20(25)13-12-18-21-16-9-6-7-10-17(16)26-18/h6-7,9-10H,4-5,8,11-15H2,1-3H3.
What are the key properties of N-[3-[3-(1,3-benzoxazol-2-yl)propanoyl-methylamino]propyl]-N-methylpentanamide?
N-[3-[3-(1,3-benzoxazol-2-yl)propanoyl-methylamino]propyl]-N-methylpentanamide has a molecular weight of 359.47 g/mol, XLogP of 3.26, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1,3-benzoxazol-2-yl)propanoyl-methylamino]propyl]-N-methylpentanamide is sourced from PubChem (CID 166370199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).