N-cyclopentyl-5-[2-(oxan-4-ylamino)cyclopropyl]-2-phosphanylbenzamide

C20H29N2O2P — CID 139384206

IUPACN-cyclopentyl-5-[2-(oxan-4-ylamino)cyclopropyl]-2-phosphanylbenzamide
SMILESO=C(NC1CCCC1)c1cc(C2CC2NC2CCOCC2)ccc1P
InChIInChI=1S/C20H29N2O2P/c23-20(22-14-3-1-2-4-14)17-11-13(5-6-19(17)25)16-12-18(16)21-15-7-9-24-10-8-15/h5-6,11,14-16,18,21H,1-4,7-10,12,25H2,(H,22,23)
InChIKeyRRIYXYFSOQFBBH-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.48
Rot. Bonds5

About N-cyclopentyl-5-[2-(oxan-4-ylamino)cyclopropyl]-2-phosphanylbenzamide

N-cyclopentyl-5-[2-(oxan-4-ylamino)cyclopropyl]-2-phosphanylbenzamide (PubChem CID 139384206) has the molecular formula C20H29N2O2P and a molecular weight of 360.44 g/mol. Its IUPAC name is N-cyclopentyl-5-[2-(oxan-4-ylamino)cyclopropyl]-2-phosphanylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-5-[2-(oxan-4-ylamino)cyclopropyl]-2-phosphanylbenzamide
PubChem CID139384206
Molecular FormulaC20H29N2O2P
Molecular Weight360.44 g/mol
Exact Mass360.20
IUPAC NameN-cyclopentyl-5-[2-(oxan-4-ylamino)cyclopropyl]-2-phosphanylbenzamide
SMILESO=C(NC1CCCC1)c1cc(C2CC2NC2CCOCC2)ccc1P
InChIInChI=1S/C20H29N2O2P/c23-20(22-14-3-1-2-4-14)17-11-13(5-6-19(17)25)16-12-18(16)21-15-7-9-24-10-8-15/h5-6,11,14-16,18,21H,1-4,7-10,12,25H2,(H,22,23)
InChIKeyRRIYXYFSOQFBBH-UHFFFAOYSA-N
XLogP2.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide
CID 118304127
4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride
CID 118432728
N-(2-phenylcyclopropyl)oxepan-4-amine
CID 65081970
5-[(1S,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide
CID 118433136
4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-cyclopentylthiophene-2-carboxamide
CID 125489038
2,4-dibromo-N-(oxan-4-yl)benzamide
CID 103882568
1-[3-[2-(cyclobutylamino)cyclopropyl]phenyl]-2-(oxan-4-yl)ethanone
CID 147506241
2,4-dimethyl-N-(oxan-4-yl)benzamide
CID 70845723
2-fluoro-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide
CID 171361952
5-[(1R,2R)-2-(cyclobutylamino)cyclopropyl]-N-cyclopentylthiophene-3-carboxamide
CID 125492639
6-chloro-2-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
CID 168678064
4-amino-2-chloro-N-(oxan-4-yl)benzamide;hydrochloride
CID 119724858

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[2-(oxan-4-ylamino)cyclopropyl]-2-phosphanylbenzamide?
The IUPAC name of N-cyclopentyl-5-[2-(oxan-4-ylamino)cyclopropyl]-2-phosphanylbenzamide (CID 139384206) is N-cyclopentyl-5-[2-(oxan-4-ylamino)cyclopropyl]-2-phosphanylbenzamide.
What is the SMILES notation for N-cyclopentyl-5-[2-(oxan-4-ylamino)cyclopropyl]-2-phosphanylbenzamide?
The canonical SMILES for N-cyclopentyl-5-[2-(oxan-4-ylamino)cyclopropyl]-2-phosphanylbenzamide is O=C(NC1CCCC1)c1cc(C2CC2NC2CCOCC2)ccc1P.
What is the InChIKey of N-cyclopentyl-5-[2-(oxan-4-ylamino)cyclopropyl]-2-phosphanylbenzamide?
The InChIKey is RRIYXYFSOQFBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N2O2P/c23-20(22-14-3-1-2-4-14)17-11-13(5-6-19(17)25)16-12-18(16)21-15-7-9-24-10-8-15/h5-6,11,14-16,18,21H,1-4,7-10,12,25H2,(H,22,23).
What are the key properties of N-cyclopentyl-5-[2-(oxan-4-ylamino)cyclopropyl]-2-phosphanylbenzamide?
N-cyclopentyl-5-[2-(oxan-4-ylamino)cyclopropyl]-2-phosphanylbenzamide has a molecular weight of 360.44 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[2-(oxan-4-ylamino)cyclopropyl]-2-phosphanylbenzamide is sourced from PubChem (CID 139384206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).