7-amino-N-(4-anilinophenyl)heptanamide

C19H25N3O — CID 119676142

IUPAC7-amino-N-(4-anilinophenyl)heptanamide
SMILESNCCCCCCC(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C19H25N3O/c20-15-7-2-1-6-10-19(23)22-18-13-11-17(12-14-18)21-16-8-4-3-5-9-16/h3-5,8-9,11-14,21H,1-2,6-7,10,15,20H2,(H,22,23)
InChIKeyPLCHVBUJZYCWCB-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.28
Rot. Bonds9

About 7-amino-N-(4-anilinophenyl)heptanamide

7-amino-N-(4-anilinophenyl)heptanamide (PubChem CID 119676142) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 7-amino-N-(4-anilinophenyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(4-anilinophenyl)heptanamide
PubChem CID119676142
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name7-amino-N-(4-anilinophenyl)heptanamide
SMILESNCCCCCCC(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C19H25N3O/c20-15-7-2-1-6-10-19(23)22-18-13-11-17(12-14-18)21-16-8-4-3-5-9-16/h3-5,8-9,11-14,21H,1-2,6-7,10,15,20H2,(H,22,23)
InChIKeyPLCHVBUJZYCWCB-UHFFFAOYSA-N
XLogP4.28
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.28
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

4-(6-aminohexanoylamino)benzamide
CID 24702559
6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108
5-(6-aminohexanoylamino)-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 143593017
11-anilino-11-oxoundecanoic acid
CID 150341840
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
CID 119670334
4-(4-anilinoanilino)-4-oxobutanoic acid
CID 3582838
3-(7-aminoheptanoylamino)benzoic acid
CID 61157847
N-phenylpentacosanamide
CID 19025260
N-phenyl-10-sulfanyldecanamide
CID 89127946
N-phenyl-9-sulfanylnonanamide
CID 89127947
7-bromo-N-phenylheptanamide
CID 11266084

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(4-anilinophenyl)heptanamide?
The IUPAC name of 7-amino-N-(4-anilinophenyl)heptanamide (CID 119676142) is 7-amino-N-(4-anilinophenyl)heptanamide.
What is the SMILES notation for 7-amino-N-(4-anilinophenyl)heptanamide?
The canonical SMILES for 7-amino-N-(4-anilinophenyl)heptanamide is NCCCCCCC(=O)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 7-amino-N-(4-anilinophenyl)heptanamide?
The InChIKey is PLCHVBUJZYCWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c20-15-7-2-1-6-10-19(23)22-18-13-11-17(12-14-18)21-16-8-4-3-5-9-16/h3-5,8-9,11-14,21H,1-2,6-7,10,15,20H2,(H,22,23).
What are the key properties of 7-amino-N-(4-anilinophenyl)heptanamide?
7-amino-N-(4-anilinophenyl)heptanamide has a molecular weight of 311.43 g/mol, XLogP of 4.28, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(4-anilinophenyl)heptanamide is sourced from PubChem (CID 119676142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).