7-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]heptanamide

C17H27ClN2O — CID 119738039

IUPAC7-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]heptanamide
SMILESCC(C)(CNC(=O)CCCCCCN)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2O/c1-17(2,14-8-10-15(18)11-9-14)13-20-16(21)7-5-3-4-6-12-19/h8-11H,3-7,12-13,19H2,1-2H3,(H,20,21)
InChIKeyWMDQIIMZCDPIGE-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.64
Rot. Bonds9

About 7-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]heptanamide

7-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]heptanamide (PubChem CID 119738039) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 7-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]heptanamide
PubChem CID119738039
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name7-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]heptanamide
SMILESCC(C)(CNC(=O)CCCCCCN)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2O/c1-17(2,14-8-10-15(18)11-9-14)13-20-16(21)7-5-3-4-6-12-19/h8-11H,3-7,12-13,19H2,1-2H3,(H,20,21)
InChIKeyWMDQIIMZCDPIGE-UHFFFAOYSA-N
XLogP3.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide
CID 110480800
4-amino-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride
CID 119318689
4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119318753
4-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]pentanamide;hydrochloride
CID 120560827
4-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]butanamide
CID 110460825
7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide
CID 119796098
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide
CID 115167558
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119738056
benzyl N-[4-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-4-oxobutyl]carbamate
CID 55904718
7-amino-N-[(4-chlorophenyl)methyl]heptanamide
CID 28738770
2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylpropanamide
CID 110460951
7-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]heptanamide
CID 119812049

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]heptanamide?
The IUPAC name of 7-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]heptanamide (CID 119738039) is 7-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]heptanamide.
What is the SMILES notation for 7-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]heptanamide?
The canonical SMILES for 7-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]heptanamide is CC(C)(CNC(=O)CCCCCCN)c1ccc(Cl)cc1.
What is the InChIKey of 7-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]heptanamide?
The InChIKey is WMDQIIMZCDPIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-17(2,14-8-10-15(18)11-9-14)13-20-16(21)7-5-3-4-6-12-19/h8-11H,3-7,12-13,19H2,1-2H3,(H,20,21).
What are the key properties of 7-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]heptanamide?
7-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]heptanamide has a molecular weight of 310.87 g/mol, XLogP of 3.64, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]heptanamide is sourced from PubChem (CID 119738039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).