N-[1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

C16H30N2O3 — CID 62526681

IUPACN-[1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC1CCCC(CO)(NC(=O)C(C)NC(=O)C(C)(C)C)C1
InChIInChI=1S/C16H30N2O3/c1-11-7-6-8-16(9-11,10-19)18-13(20)12(2)17-14(21)15(3,4)5/h11-12,19H,6-10H2,1-5H3,(H,17,21)(H,18,20)
InChIKeyUVYQVCZDFXDSSP-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.59
Rot. Bonds4

About N-[1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

N-[1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (PubChem CID 62526681) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
PubChem CID62526681
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC NameN-[1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC1CCCC(CO)(NC(=O)C(C)NC(=O)C(C)(C)C)C1
InChIInChI=1S/C16H30N2O3/c1-11-7-6-8-16(9-11,10-19)18-13(20)12(2)17-14(21)15(3,4)5/h11-12,19H,6-10H2,1-5H3,(H,17,21)(H,18,20)
InChIKeyUVYQVCZDFXDSSP-UHFFFAOYSA-N
XLogP1.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

N-[1-[[1-(aminomethyl)cyclopentyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 119567720
2-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropanamide
CID 114328607
(2S,3S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylpentanamide
CID 62551339
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide
CID 62527893
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbutanamide
CID 62527367
2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-phenylacetamide
CID 62552008
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylpropanamide
CID 63753681
1-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 43358914
5-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylpentanamide
CID 82012547
5-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]hexanamide
CID 82851944
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-ethylbutanamide
CID 114304013
2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetic acid
CID 55209144

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (CID 62526681) is N-[1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is CC1CCCC(CO)(NC(=O)C(C)NC(=O)C(C)(C)C)C1.
What is the InChIKey of N-[1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is UVYQVCZDFXDSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-11-7-6-8-16(9-11,10-19)18-13(20)12(2)17-14(21)15(3,4)5/h11-12,19H,6-10H2,1-5H3,(H,17,21)(H,18,20).
What are the key properties of N-[1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
N-[1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 298.43 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 62526681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).