N-[4-[[2-(heptylamino)acetyl]amino]phenyl]-3-phenylpropanamide

C24H33N3O2 — CID 54814556

IUPACN-[4-[[2-(heptylamino)acetyl]amino]phenyl]-3-phenylpropanamide
SMILESCCCCCCCNCC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C24H33N3O2/c1-2-3-4-5-9-18-25-19-24(29)27-22-15-13-21(14-16-22)26-23(28)17-12-20-10-7-6-8-11-20/h6-8,10-11,13-16,25H,2-5,9,12,17-19H2,1H3,(H,26,28)(H,27,29)
InChIKeyAKELPLPSLGVLDU-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.76
Rot. Bonds13

About N-[4-[[2-(heptylamino)acetyl]amino]phenyl]-3-phenylpropanamide

N-[4-[[2-(heptylamino)acetyl]amino]phenyl]-3-phenylpropanamide (PubChem CID 54814556) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[4-[[2-(heptylamino)acetyl]amino]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[[2-(heptylamino)acetyl]amino]phenyl]-3-phenylpropanamide
PubChem CID54814556
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-[4-[[2-(heptylamino)acetyl]amino]phenyl]-3-phenylpropanamide
SMILESCCCCCCCNCC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C24H33N3O2/c1-2-3-4-5-9-18-25-19-24(29)27-22-15-13-21(14-16-22)26-23(28)17-12-20-10-7-6-8-11-20/h6-8,10-11,13-16,25H,2-5,9,12,17-19H2,1H3,(H,26,28)(H,27,29)
InChIKeyAKELPLPSLGVLDU-UHFFFAOYSA-N
XLogP4.76
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-(3-phenylpropylamino)acetamide
CID 109005083
N-(4-methylphenyl)-2-(pentylamino)acetamide
CID 28569144
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839712
N-(4-butoxyphenyl)-2-(2-phenylethylamino)acetamide
CID 54815208
N-(4-fluorophenyl)-2-(octylamino)acetamide
CID 78914389
N-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54820849
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
N-(4-fluorophenyl)-2-(pentylamino)acetamide
CID 28569105
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
2-(hexadecylamino)-N-naphthalen-2-ylacetamide
CID 54808912
N-(4-tert-butylphenyl)-2-(3-phenylpropylamino)acetamide
CID 109005056

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(heptylamino)acetyl]amino]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-[[2-(heptylamino)acetyl]amino]phenyl]-3-phenylpropanamide (CID 54814556) is N-[4-[[2-(heptylamino)acetyl]amino]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-[[2-(heptylamino)acetyl]amino]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-[[2-(heptylamino)acetyl]amino]phenyl]-3-phenylpropanamide is CCCCCCCNCC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1.
What is the InChIKey of N-[4-[[2-(heptylamino)acetyl]amino]phenyl]-3-phenylpropanamide?
The InChIKey is AKELPLPSLGVLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-2-3-4-5-9-18-25-19-24(29)27-22-15-13-21(14-16-22)26-23(28)17-12-20-10-7-6-8-11-20/h6-8,10-11,13-16,25H,2-5,9,12,17-19H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[4-[[2-(heptylamino)acetyl]amino]phenyl]-3-phenylpropanamide?
N-[4-[[2-(heptylamino)acetyl]amino]phenyl]-3-phenylpropanamide has a molecular weight of 395.55 g/mol, XLogP of 4.76, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(heptylamino)acetyl]amino]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 54814556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).