1-(aminomethyl)-N-benzyl-N-phenylcycloheptane-1-carboxamide

C22H28N2O — CID 113310819

IUPAC1-(aminomethyl)-N-benzyl-N-phenylcycloheptane-1-carboxamide
SMILESNCC1(C(=O)N(Cc2ccccc2)c2ccccc2)CCCCCC1
InChIInChI=1S/C22H28N2O/c23-18-22(15-9-1-2-10-16-22)21(25)24(20-13-7-4-8-14-20)17-19-11-5-3-6-12-19/h3-8,11-14H,1-2,9-10,15-18,23H2
InChIKeyGZSKNGIYKJYPGB-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.52
Rot. Bonds5

About 1-(aminomethyl)-N-benzyl-N-phenylcycloheptane-1-carboxamide

1-(aminomethyl)-N-benzyl-N-phenylcycloheptane-1-carboxamide (PubChem CID 113310819) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-(aminomethyl)-N-benzyl-N-phenylcycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-benzyl-N-phenylcycloheptane-1-carboxamide
PubChem CID113310819
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name1-(aminomethyl)-N-benzyl-N-phenylcycloheptane-1-carboxamide
SMILESNCC1(C(=O)N(Cc2ccccc2)c2ccccc2)CCCCCC1
InChIInChI=1S/C22H28N2O/c23-18-22(15-9-1-2-10-16-22)21(25)24(20-13-7-4-8-14-20)17-19-11-5-3-6-12-19/h3-8,11-14H,1-2,9-10,15-18,23H2
InChIKeyGZSKNGIYKJYPGB-UHFFFAOYSA-N
XLogP4.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-benzyl-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 62115129
1-(aminomethyl)-N-butyl-N-phenylcyclopropane-1-carboxamide
CID 80599044
1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclobutane-1-carboxamide
CID 115448218
1-N,1-N'-dibenzyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108974862
1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclopropane-1-carboxamide
CID 115452974
[1-(aminomethyl)cyclobutyl]-phenylmethanone
CID 116600332
N-benzyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-phenylacetamide
CID 31927853
2-(2-aminoethoxy)-N-benzyl-N-phenylacetamide
CID 79480179
N-benzyl-1-hydroxy-N-methylcyclohexane-1-carboxamide
CID 71857199
2-amino-N-[(4-chlorophenyl)methyl]-N-phenylacetamide
CID 39373717
1-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115447419
1-benzyl-3-cyclohexyl-1-phenylurea
CID 602977

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-benzyl-N-phenylcycloheptane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-benzyl-N-phenylcycloheptane-1-carboxamide (CID 113310819) is 1-(aminomethyl)-N-benzyl-N-phenylcycloheptane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-benzyl-N-phenylcycloheptane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-benzyl-N-phenylcycloheptane-1-carboxamide is NCC1(C(=O)N(Cc2ccccc2)c2ccccc2)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-benzyl-N-phenylcycloheptane-1-carboxamide?
The InChIKey is GZSKNGIYKJYPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c23-18-22(15-9-1-2-10-16-22)21(25)24(20-13-7-4-8-14-20)17-19-11-5-3-6-12-19/h3-8,11-14H,1-2,9-10,15-18,23H2.
What are the key properties of 1-(aminomethyl)-N-benzyl-N-phenylcycloheptane-1-carboxamide?
1-(aminomethyl)-N-benzyl-N-phenylcycloheptane-1-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-benzyl-N-phenylcycloheptane-1-carboxamide is sourced from PubChem (CID 113310819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).