N-[(2R)-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxopropan-2-yl]benzamide

C21H31N3O3 — CID 31328196

IUPACN-[(2R)-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxopropan-2-yl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1)C(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C21H31N3O3/c1-17(23-20(26)18-8-4-2-5-9-18)19(25)22-16-21(10-6-3-7-11-21)24-12-14-27-15-13-24/h2,4-5,8-9,17H,3,6-7,10-16H2,1H3,(H,22,25)(H,23,26)/t17-/m1/s1
InChIKeyFWOGZSMUIZCDFU-QGZVFWFLSA-N
MW373.50 g/mol
LogP1.96
Rot. Bonds6

About N-[(2R)-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxopropan-2-yl]benzamide

N-[(2R)-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxopropan-2-yl]benzamide (PubChem CID 31328196) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[(2R)-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxopropan-2-yl]benzamide
PubChem CID31328196
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-[(2R)-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxopropan-2-yl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1)C(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C21H31N3O3/c1-17(23-20(26)18-8-4-2-5-9-18)19(25)22-16-21(10-6-3-7-11-21)24-12-14-27-15-13-24/h2,4-5,8-9,17H,3,6-7,10-16H2,1H3,(H,22,25)(H,23,26)/t17-/m1/s1
InChIKeyFWOGZSMUIZCDFU-QGZVFWFLSA-N
XLogP1.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 51715596
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
(2S)-2-(2-methoxyphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 34948785
N-[3-methyl-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46817755
2-[(4-chlorophenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 55348790
3-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150674
(2R)-2-amino-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 56875780
2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 78789816
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylpropanamide
CID 18150652
3-methyl-N-[2-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]benzamide
CID 111004431
2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide;hydrochloride
CID 20995028
4-(difluoromethylsulfanyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18148355

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[(2R)-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxopropan-2-yl]benzamide (CID 31328196) is N-[(2R)-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[(2R)-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxopropan-2-yl]benzamide is C[C@@H](NC(=O)c1ccccc1)C(=O)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of N-[(2R)-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxopropan-2-yl]benzamide?
The InChIKey is FWOGZSMUIZCDFU-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-17(23-20(26)18-8-4-2-5-9-18)19(25)22-16-21(10-6-3-7-11-21)24-12-14-27-15-13-24/h2,4-5,8-9,17H,3,6-7,10-16H2,1H3,(H,22,25)(H,23,26)/t17-/m1/s1.
What are the key properties of N-[(2R)-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxopropan-2-yl]benzamide?
N-[(2R)-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxopropan-2-yl]benzamide has a molecular weight of 373.50 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 31328196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).