N-[1-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide

C17H24N2O2 — CID 119566289

IUPACN-[1-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide
SMILESNCC1(NC(=O)c2ccc(OCC3CC3)cc2)CCCC1
InChIInChI=1S/C17H24N2O2/c18-12-17(9-1-2-10-17)19-16(20)14-5-7-15(8-6-14)21-11-13-3-4-13/h5-8,13H,1-4,9-12,18H2,(H,19,20)
InChIKeyCYSOGQIHIHVCFZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.48
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide

N-[1-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide (PubChem CID 119566289) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide
PubChem CID119566289
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide
SMILESNCC1(NC(=O)c2ccc(OCC3CC3)cc2)CCCC1
InChIInChI=1S/C17H24N2O2/c18-12-17(9-1-2-10-17)19-16(20)14-5-7-15(8-6-14)21-11-13-3-4-13/h5-8,13H,1-4,9-12,18H2,(H,19,20)
InChIKeyCYSOGQIHIHVCFZ-UHFFFAOYSA-N
XLogP2.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide (CID 119566289) is N-[1-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide is NCC1(NC(=O)c2ccc(OCC3CC3)cc2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide?
The InChIKey is CYSOGQIHIHVCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c18-12-17(9-1-2-10-17)19-16(20)14-5-7-15(8-6-14)21-11-13-3-4-13/h5-8,13H,1-4,9-12,18H2,(H,19,20).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide?
N-[1-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide has a molecular weight of 288.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide is sourced from PubChem (CID 119566289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).