N-[(4-acetamidophenyl)methyl]-7-aminoheptanamide

C16H25N3O2 — CID 61260684

IUPACN-[(4-acetamidophenyl)methyl]-7-aminoheptanamide
SMILESCC(=O)Nc1ccc(CNC(=O)CCCCCCN)cc1
InChIInChI=1S/C16H25N3O2/c1-13(20)19-15-9-7-14(8-10-15)12-18-16(21)6-4-2-3-5-11-17/h7-10H,2-6,11-12,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyRZRJGAPPBJQSPJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.17
Rot. Bonds9

About N-[(4-acetamidophenyl)methyl]-7-aminoheptanamide

N-[(4-acetamidophenyl)methyl]-7-aminoheptanamide (PubChem CID 61260684) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-7-aminoheptanamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-7-aminoheptanamide
PubChem CID61260684
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[(4-acetamidophenyl)methyl]-7-aminoheptanamide
SMILESCC(=O)Nc1ccc(CNC(=O)CCCCCCN)cc1
InChIInChI=1S/C16H25N3O2/c1-13(20)19-15-9-7-14(8-10-15)12-18-16(21)6-4-2-3-5-11-17/h7-10H,2-6,11-12,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyRZRJGAPPBJQSPJ-UHFFFAOYSA-N
XLogP2.17
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.17
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)methyl]-4-aminobutanamide
CID 61260318
N-[(4-acetamidophenyl)methyl]-4-aminobutanamide;hydrochloride
CID 119277262
7-amino-N-[(4-chlorophenyl)methyl]heptanamide
CID 28738770
7-amino-N-[4-[(carbamoylamino)methyl]phenyl]heptanamide;hydrochloride
CID 119757592
N-[4-[(7-aminoheptanoylamino)methyl]phenyl]-4-fluorobenzamide
CID 119762425
7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide
CID 61250502
4-[(6-aminohexanoylamino)methyl]-N-methylbenzamide
CID 61251692
4-[(7-aminoheptanoylamino)methyl]-N,N-dimethylbenzamide
CID 119701704
6-acetamido-N-[[4-(butanoylamino)phenyl]methyl]hexanamide
CID 87018702
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide
CID 107231147
2-(4-acetamidophenyl)-N-(6-aminohexyl)acetamide
CID 108792623
6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 24689884

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-7-aminoheptanamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-7-aminoheptanamide (CID 61260684) is N-[(4-acetamidophenyl)methyl]-7-aminoheptanamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-7-aminoheptanamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-7-aminoheptanamide is CC(=O)Nc1ccc(CNC(=O)CCCCCCN)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-7-aminoheptanamide?
The InChIKey is RZRJGAPPBJQSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13(20)19-15-9-7-14(8-10-15)12-18-16(21)6-4-2-3-5-11-17/h7-10H,2-6,11-12,17H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[(4-acetamidophenyl)methyl]-7-aminoheptanamide?
N-[(4-acetamidophenyl)methyl]-7-aminoheptanamide has a molecular weight of 291.39 g/mol, XLogP of 2.17, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-7-aminoheptanamide is sourced from PubChem (CID 61260684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).