2-(carbamoylamino)-3-hydroxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide

C18H27N3O4 — CID 75395672

IUPAC2-(carbamoylamino)-3-hydroxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide
SMILESCOc1ccc(C2(CNC(=O)C(CO)NC(N)=O)CCCCC2)cc1
InChIInChI=1S/C18H27N3O4/c1-25-14-7-5-13(6-8-14)18(9-3-2-4-10-18)12-20-16(23)15(11-22)21-17(19)24/h5-8,15,22H,2-4,9-12H2,1H3,(H,20,23)(H3,19,21,24)
InChIKeyMGRFEDWSQSQBCR-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.04
Rot. Bonds7

About 2-(carbamoylamino)-3-hydroxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide

2-(carbamoylamino)-3-hydroxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide (PubChem CID 75395672) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(carbamoylamino)-3-hydroxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-3-hydroxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide
PubChem CID75395672
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name2-(carbamoylamino)-3-hydroxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide
SMILESCOc1ccc(C2(CNC(=O)C(CO)NC(N)=O)CCCCC2)cc1
InChIInChI=1S/C18H27N3O4/c1-25-14-7-5-13(6-8-14)18(9-3-2-4-10-18)12-20-16(23)15(11-22)21-17(19)24/h5-8,15,22H,2-4,9-12H2,1H3,(H,20,23)(H3,19,21,24)
InChIKeyMGRFEDWSQSQBCR-UHFFFAOYSA-N
XLogP1.04
TPSA113.68 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-hydroxypropan-2-yl)-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]urea
CID 47875472
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide
CID 110478485
2-amino-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-methylbutanamide
CID 110481439
(2S)-2-imidazol-1-yl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide
CID 126431688
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,2-diphenylacetamide
CID 113090745
2-cyclopentylsulfonyl-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]acetamide
CID 60586923
1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214574
3-(2-amino-2-oxoethoxy)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]benzamide
CID 47921805
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine
CID 62596968
4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methylpiperidine-4-carboxamide
CID 74232996
2-amino-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120988365
(2S,5R)-5-(aminomethyl)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]oxolane-2-carboxamide
CID 120789842

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-3-hydroxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide?
The IUPAC name of 2-(carbamoylamino)-3-hydroxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide (CID 75395672) is 2-(carbamoylamino)-3-hydroxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide.
What is the SMILES notation for 2-(carbamoylamino)-3-hydroxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide?
The canonical SMILES for 2-(carbamoylamino)-3-hydroxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide is COc1ccc(C2(CNC(=O)C(CO)NC(N)=O)CCCCC2)cc1.
What is the InChIKey of 2-(carbamoylamino)-3-hydroxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide?
The InChIKey is MGRFEDWSQSQBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-25-14-7-5-13(6-8-14)18(9-3-2-4-10-18)12-20-16(23)15(11-22)21-17(19)24/h5-8,15,22H,2-4,9-12H2,1H3,(H,20,23)(H3,19,21,24).
What are the key properties of 2-(carbamoylamino)-3-hydroxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide?
2-(carbamoylamino)-3-hydroxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide has a molecular weight of 349.43 g/mol, XLogP of 1.04, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-3-hydroxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide is sourced from PubChem (CID 75395672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).