4-amino-2-ethyl-N-[(2R)-8-(hex-5-enylamino)octan-2-yl]benzamide

C23H39N3O — CID 154951403

IUPAC4-amino-2-ethyl-N-[(2R)-8-(hex-5-enylamino)octan-2-yl]benzamide
SMILESC=CCCCCNCCCCCC[C@@H](C)NC(=O)c1ccc(N)cc1CC
InChIInChI=1S/C23H39N3O/c1-4-6-7-11-16-25-17-12-9-8-10-13-19(3)26-23(27)22-15-14-21(24)18-20(22)5-2/h4,14-15,18-19,25H,1,5-13,16-17,24H2,2-3H3,(H,26,27)/t19-/m1/s1
InChIKeyVRUOEACAHADBQO-LJQANCHMSA-N
MW373.59 g/mol
LogP4.85
Rot. Bonds15

About 4-amino-2-ethyl-N-[(2R)-8-(hex-5-enylamino)octan-2-yl]benzamide

4-amino-2-ethyl-N-[(2R)-8-(hex-5-enylamino)octan-2-yl]benzamide (PubChem CID 154951403) has the molecular formula C23H39N3O and a molecular weight of 373.59 g/mol. Its IUPAC name is 4-amino-2-ethyl-N-[(2R)-8-(hex-5-enylamino)octan-2-yl]benzamide.

Molecular Properties

Compound Name4-amino-2-ethyl-N-[(2R)-8-(hex-5-enylamino)octan-2-yl]benzamide
PubChem CID154951403
Molecular FormulaC23H39N3O
Molecular Weight373.59 g/mol
Exact Mass373.31
IUPAC Name4-amino-2-ethyl-N-[(2R)-8-(hex-5-enylamino)octan-2-yl]benzamide
SMILESC=CCCCCNCCCCCC[C@@H](C)NC(=O)c1ccc(N)cc1CC
InChIInChI=1S/C23H39N3O/c1-4-6-7-11-16-25-17-12-9-8-10-13-19(3)26-23(27)22-15-14-21(24)18-20(22)5-2/h4,14-15,18-19,25H,1,5-13,16-17,24H2,2-3H3,(H,26,27)/t19-/m1/s1
InChIKeyVRUOEACAHADBQO-LJQANCHMSA-N
XLogP4.85
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.59
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-2-ethyl-N-[(2R)-8-(hex-5-enylamino)octan-2-yl]benzamide 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-fluoro-N-[(2S)-non-8-en-2-yl]benzamide
CID 151103290
4-amino-N-[(2R)-4-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butan-2-yl]-2-ethylbenzamide
CID 166579721
5-amino-N-octan-2-yl-1H-indole-3-carboxamide
CID 63116814
3-(hept-6-enylamino)-N-propan-2-ylpropanamide
CID 107007090
N-octan-2-yl-2-(prop-2-enylamino)acetamide
CID 78914237
3-ethyl-4-octadec-1-en-2-ylaniline
CID 89127120
5-amino-2-fluoro-N-(4-methoxybutan-2-yl)benzamide
CID 64602204
5-amino-N-octan-2-yl-1-benzothiophene-2-carboxamide
CID 61476113
4-[1-(hex-5-en-2-ylamino)ethenyl]-3-hydrazinylaniline
CID 167105801
N-heptan-2-ylhept-6-enamide
CID 166754138
2,4-diamino-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 113493375
4-hydroxy-2-methyl-N-octan-2-ylbenzamide
CID 103865158

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethyl-N-[(2R)-8-(hex-5-enylamino)octan-2-yl]benzamide?
The IUPAC name of 4-amino-2-ethyl-N-[(2R)-8-(hex-5-enylamino)octan-2-yl]benzamide (CID 154951403) is 4-amino-2-ethyl-N-[(2R)-8-(hex-5-enylamino)octan-2-yl]benzamide.
What is the SMILES notation for 4-amino-2-ethyl-N-[(2R)-8-(hex-5-enylamino)octan-2-yl]benzamide?
The canonical SMILES for 4-amino-2-ethyl-N-[(2R)-8-(hex-5-enylamino)octan-2-yl]benzamide is C=CCCCCNCCCCCC[C@@H](C)NC(=O)c1ccc(N)cc1CC.
What is the InChIKey of 4-amino-2-ethyl-N-[(2R)-8-(hex-5-enylamino)octan-2-yl]benzamide?
The InChIKey is VRUOEACAHADBQO-LJQANCHMSA-N. The full InChI is InChI=1S/C23H39N3O/c1-4-6-7-11-16-25-17-12-9-8-10-13-19(3)26-23(27)22-15-14-21(24)18-20(22)5-2/h4,14-15,18-19,25H,1,5-13,16-17,24H2,2-3H3,(H,26,27)/t19-/m1/s1.
What are the key properties of 4-amino-2-ethyl-N-[(2R)-8-(hex-5-enylamino)octan-2-yl]benzamide?
4-amino-2-ethyl-N-[(2R)-8-(hex-5-enylamino)octan-2-yl]benzamide has a molecular weight of 373.59 g/mol, XLogP of 4.85, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethyl-N-[(2R)-8-(hex-5-enylamino)octan-2-yl]benzamide is sourced from PubChem (CID 154951403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).