N-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanamide

C14H27N3O3 — CID 62551325

IUPACN-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanamide
SMILESCCNC(=O)NC(=O)C(C)NC1(CO)CCCC(C)C1
InChIInChI=1S/C14H27N3O3/c1-4-15-13(20)16-12(19)11(3)17-14(9-18)7-5-6-10(2)8-14/h10-11,17-18H,4-9H2,1-3H3,(H2,15,16,19,20)
InChIKeyYVCKVODIYXTOGG-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.75
Rot. Bonds5

About N-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanamide

N-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanamide (PubChem CID 62551325) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanamide
PubChem CID62551325
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC NameN-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanamide
SMILESCCNC(=O)NC(=O)C(C)NC1(CO)CCCC(C)C1
InChIInChI=1S/C14H27N3O3/c1-4-15-13(20)16-12(19)11(3)17-14(9-18)7-5-6-10(2)8-14/h10-11,17-18H,4-9H2,1-3H3,(H2,15,16,19,20)
InChIKeyYVCKVODIYXTOGG-UHFFFAOYSA-N
XLogP0.75
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-propan-2-ylacetamide
CID 71862704
2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62552024
2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 116153414
N-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]propanamide
CID 55082319
2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide
CID 55082365
2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-pentan-3-ylpropanamide
CID 55082366
N,N-diethyl-2-[[1-(hydroxymethyl)cyclohexyl]amino]propanamide
CID 55082367
2-(carbamoylamino)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide
CID 55086641
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(methylcarbamoyl)propanamide
CID 55086651
N-butyl-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanamide
CID 55086652
2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-N-(1-methoxypropan-2-yl)acetamide
CID 55086846
(2S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide
CID 55086897

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanamide (CID 62551325) is N-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanamide is CCNC(=O)NC(=O)C(C)NC1(CO)CCCC(C)C1.
What is the InChIKey of N-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanamide?
The InChIKey is YVCKVODIYXTOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-4-15-13(20)16-12(19)11(3)17-14(9-18)7-5-6-10(2)8-14/h10-11,17-18H,4-9H2,1-3H3,(H2,15,16,19,20).
What are the key properties of N-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanamide?
N-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanamide has a molecular weight of 285.39 g/mol, XLogP of 0.75, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanamide is sourced from PubChem (CID 62551325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).