2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(methylcarbamoyl)propanamide

C14H27N3O3 — CID 65120855

IUPAC2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C14H27N3O3/c1-10(11(18)17-12(19)15-4)16-9-14(20)7-5-13(2,3)6-8-14/h10,16,20H,5-9H2,1-4H3,(H2,15,17,18,19)
InChIKeySBJPLTVGUNTSPL-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.75
Rot. Bonds4

About 2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(methylcarbamoyl)propanamide

2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(methylcarbamoyl)propanamide (PubChem CID 65120855) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(methylcarbamoyl)propanamide
PubChem CID65120855
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C14H27N3O3/c1-10(11(18)17-12(19)15-4)16-9-14(20)7-5-13(2,3)6-8-14/h10,16,20H,5-9H2,1-4H3,(H2,15,17,18,19)
InChIKeySBJPLTVGUNTSPL-UHFFFAOYSA-N
XLogP0.75
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
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

N-(methylcarbamoyl)-2-[(1-methylsulfanylcyclopropyl)methylamino]propanamide
CID 107266190
N-(methylcarbamoyl)-2-[(2-methylthiolan-2-yl)methylamino]propanamide
CID 80527987
2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-methylpropanamide
CID 65118871
2-(cyclopropylmethylamino)-N-(methylcarbamoyl)propanamide
CID 43116558
methyl 3-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2-methylbutanoate
CID 79396736
N-(ethylcarbamoyl)-2-[(1-methylcyclopropyl)methylamino]propanamide
CID 103724729
N-(ethylcarbamoyl)-2-[(1-propylcyclopropyl)methylamino]propanamide
CID 113256759
2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]butanoic acid
CID 65121052
(2S)-N-(methylcarbamoyl)-2-[(1-morpholin-4-ylcyclohexyl)methylamino]propanamide
CID 51980815
2-(3-methylbutylamino)-N-(methylcarbamoyl)propanamide
CID 43084446
2-(2-cyclobutylethylamino)-N-(methylcarbamoyl)propanamide
CID 115688595
2-[(1-hydroxycyclopentyl)methylamino]propanoic acid
CID 65108936

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(methylcarbamoyl)propanamide (CID 65120855) is 2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)NCC1(O)CCC(C)(C)CC1.
What is the InChIKey of 2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(methylcarbamoyl)propanamide?
The InChIKey is SBJPLTVGUNTSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-10(11(18)17-12(19)15-4)16-9-14(20)7-5-13(2,3)6-8-14/h10,16,20H,5-9H2,1-4H3,(H2,15,17,18,19).
What are the key properties of 2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(methylcarbamoyl)propanamide?
2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(methylcarbamoyl)propanamide has a molecular weight of 285.39 g/mol, XLogP of 0.75, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 65120855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).