4-(cyclopropanecarbonylamino)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]benzamide

C22H31N3O3 — CID 96510457

IUPAC4-(cyclopropanecarbonylamino)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C22H31N3O3/c1-16(22(10-2-3-11-22)25-12-14-28-15-13-25)23-20(26)18-6-8-19(9-7-18)24-21(27)17-4-5-17/h6-9,16-17H,2-5,10-15H2,1H3,(H,23,26)(H,24,27)/t16-/m1/s1
InChIKeyYFPGBMMMMBJRQS-MRXNPFEDSA-N
MW385.51 g/mol
LogP2.80
Rot. Bonds6

About 4-(cyclopropanecarbonylamino)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]benzamide

4-(cyclopropanecarbonylamino)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]benzamide (PubChem CID 96510457) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]benzamide
PubChem CID96510457
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name4-(cyclopropanecarbonylamino)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C22H31N3O3/c1-16(22(10-2-3-11-22)25-12-14-28-15-13-25)23-20(26)18-6-8-19(9-7-18)24-21(27)17-4-5-17/h6-9,16-17H,2-5,10-15H2,1H3,(H,23,26)(H,24,27)/t16-/m1/s1
InChIKeyYFPGBMMMMBJRQS-MRXNPFEDSA-N
XLogP2.80
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 86778313
1-N,4-N-bis[4-(butan-2-ylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17201637
N-[4-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 47025310
4-(cyclopropanecarbonylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38166430
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-[(2S)-1-aminopropan-2-yl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 120506326
4-(cyclobutanecarbonylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 48581633
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylmorpholine-4-carboxamide
CID 71940598
(3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylmorpholine-4-carboxamide
CID 94110131
4-(cyclopropanecarbonylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 26288890
1-(2-methylpropanoyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 31778030
4-(cyclobutanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 47309837

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]benzamide (CID 96510457) is 4-(cyclopropanecarbonylamino)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]benzamide is C[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)C1(N2CCOCC2)CCCC1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]benzamide?
The InChIKey is YFPGBMMMMBJRQS-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-16(22(10-2-3-11-22)25-12-14-28-15-13-25)23-20(26)18-6-8-19(9-7-18)24-21(27)17-4-5-17/h6-9,16-17H,2-5,10-15H2,1H3,(H,23,26)(H,24,27)/t16-/m1/s1.
What are the key properties of 4-(cyclopropanecarbonylamino)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]benzamide?
4-(cyclopropanecarbonylamino)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]benzamide has a molecular weight of 385.51 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]benzamide is sourced from PubChem (CID 96510457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).