3-amino-N-(cyclobutylmethyl)-N-phenylcyclopentane-1-carboxamide

C17H24N2O — CID 119807478

IUPAC3-amino-N-(cyclobutylmethyl)-N-phenylcyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)N(CC2CCC2)c2ccccc2)C1
InChIInChI=1S/C17H24N2O/c18-15-10-9-14(11-15)17(20)19(12-13-5-4-6-13)16-7-2-1-3-8-16/h1-3,7-8,13-15H,4-6,9-12,18H2
InChIKeyCEUQKJJIPVIGIO-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.95
Rot. Bonds4

About 3-amino-N-(cyclobutylmethyl)-N-phenylcyclopentane-1-carboxamide

3-amino-N-(cyclobutylmethyl)-N-phenylcyclopentane-1-carboxamide (PubChem CID 119807478) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-amino-N-(cyclobutylmethyl)-N-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(cyclobutylmethyl)-N-phenylcyclopentane-1-carboxamide
PubChem CID119807478
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-amino-N-(cyclobutylmethyl)-N-phenylcyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)N(CC2CCC2)c2ccccc2)C1
InChIInChI=1S/C17H24N2O/c18-15-10-9-14(11-15)17(20)19(12-13-5-4-6-13)16-7-2-1-3-8-16/h1-3,7-8,13-15H,4-6,9-12,18H2
InChIKeyCEUQKJJIPVIGIO-UHFFFAOYSA-N
XLogP2.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclobutylmethyl)-N-phenylcyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(cyclobutylmethyl)-N-phenylcyclopentane-1-carboxamide (CID 119807478) is 3-amino-N-(cyclobutylmethyl)-N-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(cyclobutylmethyl)-N-phenylcyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(cyclobutylmethyl)-N-phenylcyclopentane-1-carboxamide is NC1CCC(C(=O)N(CC2CCC2)c2ccccc2)C1.
What is the InChIKey of 3-amino-N-(cyclobutylmethyl)-N-phenylcyclopentane-1-carboxamide?
The InChIKey is CEUQKJJIPVIGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c18-15-10-9-14(11-15)17(20)19(12-13-5-4-6-13)16-7-2-1-3-8-16/h1-3,7-8,13-15H,4-6,9-12,18H2.
What are the key properties of 3-amino-N-(cyclobutylmethyl)-N-phenylcyclopentane-1-carboxamide?
3-amino-N-(cyclobutylmethyl)-N-phenylcyclopentane-1-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclobutylmethyl)-N-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 119807478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).