7-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]heptanamide

C18H27ClN2O — CID 119769932

IUPAC7-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]heptanamide
SMILESNCCCCCCC(=O)NCC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C18H27ClN2O/c19-16-9-7-15(8-10-16)18(11-5-12-18)14-21-17(22)6-3-1-2-4-13-20/h7-10H,1-6,11-14,20H2,(H,21,22)
InChIKeyIBSPUOAGQGDSSJ-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.79
Rot. Bonds9

About 7-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]heptanamide

7-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]heptanamide (PubChem CID 119769932) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 7-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]heptanamide
PubChem CID119769932
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name7-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]heptanamide
SMILESNCCCCCCC(=O)NCC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C18H27ClN2O/c19-16-9-7-15(8-10-16)18(11-5-12-18)14-21-17(22)6-3-1-2-4-13-20/h7-10H,1-6,11-14,20H2,(H,21,22)
InChIKeyIBSPUOAGQGDSSJ-UHFFFAOYSA-N
XLogP3.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.79
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

4-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119315672
4-amino-N-[[1-(4-tert-butylphenyl)cyclobutyl]methyl]butanamide
CID 119312423
2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide
CID 166404207
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
7-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]heptanamide
CID 119749608
7-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]heptanamide;hydrochloride
CID 119770559
7-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]heptanamide;hydrochloride
CID 119765182
7-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]heptanamide;hydrochloride
CID 119799163
1-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119315664
6-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]hexanamide
CID 110482650
3-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-phenylpropanamide
CID 119951110
4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]oxane-4-carboxamide
CID 120930589

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]heptanamide?
The IUPAC name of 7-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]heptanamide (CID 119769932) is 7-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]heptanamide.
What is the SMILES notation for 7-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]heptanamide?
The canonical SMILES for 7-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]heptanamide is NCCCCCCC(=O)NCC1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 7-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]heptanamide?
The InChIKey is IBSPUOAGQGDSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O/c19-16-9-7-15(8-10-16)18(11-5-12-18)14-21-17(22)6-3-1-2-4-13-20/h7-10H,1-6,11-14,20H2,(H,21,22).
What are the key properties of 7-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]heptanamide?
7-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]heptanamide has a molecular weight of 322.88 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]heptanamide is sourced from PubChem (CID 119769932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).