N-cyclopentyl-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide

C20H28N2O2 — CID 118304127

IUPACN-cyclopentyl-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide
SMILESO=C(NC1CCCC1)c1cccc(C2CC2NC2CCOCC2)c1
InChIInChI=1S/C20H28N2O2/c23-20(22-16-6-1-2-7-16)15-5-3-4-14(12-15)18-13-19(18)21-17-8-10-24-11-9-17/h3-5,12,16-19,21H,1-2,6-11,13H2,(H,22,23)
InChIKeyAREVTADKCJWXFS-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.98
Rot. Bonds5

About N-cyclopentyl-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide

N-cyclopentyl-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide (PubChem CID 118304127) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-cyclopentyl-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide
PubChem CID118304127
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-cyclopentyl-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide
SMILESO=C(NC1CCCC1)c1cccc(C2CC2NC2CCOCC2)c1
InChIInChI=1S/C20H28N2O2/c23-20(22-16-6-1-2-7-16)15-5-3-4-14(12-15)18-13-19(18)21-17-8-10-24-11-9-17/h3-5,12,16-19,21H,1-2,6-11,13H2,(H,22,23)
InChIKeyAREVTADKCJWXFS-UHFFFAOYSA-N
XLogP2.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-5-[2-(oxan-4-ylamino)cyclopropyl]-2-phosphanylbenzamide
CID 139384206
1-[3-[2-(cyclobutylamino)cyclopropyl]phenyl]-2-(oxan-4-yl)ethanone
CID 147506241
5-[(1S,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide
CID 118433136
N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]benzamide;hydrochloride
CID 118304120
3-(oxan-4-ylcarbamoyl)benzoic acid
CID 43610555
4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride
CID 118432728
(E)-but-2-enedioic acid;N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide
CID 118304676
N-(1-tert-butylpyrazol-4-yl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide;dihydrochloride
CID 118305093
cyclopropylmethyl-[2-[3-(oxan-4-ylcarbamoyl)phenyl]cyclopropyl]carbamic acid
CID 118304983
3-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 118304644
5-[(1R,2R)-2-(cyclobutylamino)cyclopropyl]-N-cyclopentylthiophene-3-carboxamide
CID 125492639
3-(chloromethyl)-N-(oxan-4-yl)benzamide
CID 43610029

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide?
The IUPAC name of N-cyclopentyl-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide (CID 118304127) is N-cyclopentyl-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide.
What is the SMILES notation for N-cyclopentyl-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide?
The canonical SMILES for N-cyclopentyl-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide is O=C(NC1CCCC1)c1cccc(C2CC2NC2CCOCC2)c1.
What is the InChIKey of N-cyclopentyl-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide?
The InChIKey is AREVTADKCJWXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-20(22-16-6-1-2-7-16)15-5-3-4-14(12-15)18-13-19(18)21-17-8-10-24-11-9-17/h3-5,12,16-19,21H,1-2,6-11,13H2,(H,22,23).
What are the key properties of N-cyclopentyl-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide?
N-cyclopentyl-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide has a molecular weight of 328.46 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide is sourced from PubChem (CID 118304127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).