4-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]morpholine-2-carboxamide

C15H27N3O3 — CID 49451109

IUPAC4-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]morpholine-2-carboxamide
SMILESCC1CCC(NC(=O)C(C)N2CCOC(C(N)=O)C2)CC1
InChIInChI=1S/C15H27N3O3/c1-10-3-5-12(6-4-10)17-15(20)11(2)18-7-8-21-13(9-18)14(16)19/h10-13H,3-9H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeyIKXWPABTCOOGIZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.26
Rot. Bonds4

About 4-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]morpholine-2-carboxamide

4-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]morpholine-2-carboxamide (PubChem CID 49451109) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]morpholine-2-carboxamide
PubChem CID49451109
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name4-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]morpholine-2-carboxamide
SMILESCC1CCC(NC(=O)C(C)N2CCOC(C(N)=O)C2)CC1
InChIInChI=1S/C15H27N3O3/c1-10-3-5-12(6-4-10)17-15(20)11(2)18-7-8-21-13(9-18)14(16)19/h10-13H,3-9H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeyIKXWPABTCOOGIZ-UHFFFAOYSA-N
XLogP0.26
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)morpholin-4-yl]-N-cyclopropylpropanamide
CID 61338383
(2S)-N-cyclopropyl-2-[(2R)-2-ethylmorpholin-4-yl]propanamide
CID 95282446
2-(2-carbamothioylmorpholin-4-yl)-N-propylpropanamide
CID 79681745
1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119908292
2-(2-carbamothioylmorpholin-4-yl)-N-pentan-3-ylpropanamide
CID 79680833
4-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]morpholine-2-carboxamide
CID 49452444
2-(3-aminoazetidin-1-yl)-N-cyclopropylpropanamide
CID 63761129
methyl 2-[4-[1-(cyclopentylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate
CID 79827501
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methylcyclohexyl)propanamide
CID 120761631
4-(1,2-dihydroxyethyl)morpholine-2-carboxamide
CID 174387673
N-cyclopropyl-2-(3-methylpiperazin-1-yl)propanamide;hydrochloride
CID 119924485
(3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 8543236

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]morpholine-2-carboxamide?
The IUPAC name of 4-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]morpholine-2-carboxamide (CID 49451109) is 4-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]morpholine-2-carboxamide.
What is the SMILES notation for 4-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]morpholine-2-carboxamide?
The canonical SMILES for 4-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]morpholine-2-carboxamide is CC1CCC(NC(=O)C(C)N2CCOC(C(N)=O)C2)CC1.
What is the InChIKey of 4-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]morpholine-2-carboxamide?
The InChIKey is IKXWPABTCOOGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-10-3-5-12(6-4-10)17-15(20)11(2)18-7-8-21-13(9-18)14(16)19/h10-13H,3-9H2,1-2H3,(H2,16,19)(H,17,20).
What are the key properties of 4-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]morpholine-2-carboxamide?
4-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]morpholine-2-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]morpholine-2-carboxamide is sourced from PubChem (CID 49451109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).