7-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]heptanamide

C18H29ClN2O — CID 119812049

IUPAC7-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]heptanamide
SMILESCC(C)(CNC(=O)CCCCCCN)Cc1cccc(Cl)c1
InChIInChI=1S/C18H29ClN2O/c1-18(2,13-15-8-7-9-16(19)12-15)14-21-17(22)10-5-3-4-6-11-20/h7-9,12H,3-6,10-11,13-14,20H2,1-2H3,(H,21,22)
InChIKeyBKRYAOFFNINXQT-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.93
Rot. Bonds10

About 7-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]heptanamide

7-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]heptanamide (PubChem CID 119812049) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 7-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]heptanamide
PubChem CID119812049
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name7-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]heptanamide
SMILESCC(C)(CNC(=O)CCCCCCN)Cc1cccc(Cl)c1
InChIInChI=1S/C18H29ClN2O/c1-18(2,13-15-8-7-9-16(19)12-15)14-21-17(22)10-5-3-4-6-11-20/h7-9,12H,3-6,10-11,13-14,20H2,1-2H3,(H,21,22)
InChIKeyBKRYAOFFNINXQT-UHFFFAOYSA-N
XLogP3.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.93
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

2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]acetamide
CID 119339868
7-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]heptanamide
CID 119738039
2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]pentanamide
CID 119339882
6-amino-1-(3-chlorophenyl)hexan-2-one
CID 116571976
5-amino-N-(3-hydroxy-2,2-dimethylpropyl)pentanamide
CID 115360270
7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide
CID 119796098
2-amino-N-(2,2-dimethyl-3-phenylpropyl)acetamide
CID 119329644
7-amino-N-[(4-chlorophenyl)methyl]heptanamide
CID 28738770
N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide
CID 94684838
5-(carbamoylamino)-N-[(3-chlorophenyl)methyl]pentanamide
CID 9209918
N-(4-bromo-2,2-dimethylbutyl)-2-(3-chlorophenyl)acetamide
CID 106143575
N-[3-(3-chlorophenyl)propyl]pentanamide
CID 10562858

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]heptanamide?
The IUPAC name of 7-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]heptanamide (CID 119812049) is 7-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]heptanamide.
What is the SMILES notation for 7-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]heptanamide?
The canonical SMILES for 7-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]heptanamide is CC(C)(CNC(=O)CCCCCCN)Cc1cccc(Cl)c1.
What is the InChIKey of 7-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]heptanamide?
The InChIKey is BKRYAOFFNINXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2O/c1-18(2,13-15-8-7-9-16(19)12-15)14-21-17(22)10-5-3-4-6-11-20/h7-9,12H,3-6,10-11,13-14,20H2,1-2H3,(H,21,22).
What are the key properties of 7-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]heptanamide?
7-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]heptanamide has a molecular weight of 324.90 g/mol, XLogP of 3.93, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]heptanamide is sourced from PubChem (CID 119812049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).