N-[2-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide

C15H28N2O3 — CID 97235341

IUPACN-[2-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC(=O)N[C@H]1CCCC[C@H]1CO
InChIInChI=1S/C15H28N2O3/c1-15(2,3)8-13(19)16-9-14(20)17-12-7-5-4-6-11(12)10-18/h11-12,18H,4-10H2,1-3H3,(H,16,19)(H,17,20)/t11-,12-/m0/s1
InChIKeyBLHSVNWNAOJPOZ-RYUDHWBXSA-N
MW284.40 g/mol
LogP1.21
Rot. Bonds5

About N-[2-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide

N-[2-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide (PubChem CID 97235341) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[2-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
PubChem CID97235341
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC NameN-[2-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC(=O)N[C@H]1CCCC[C@H]1CO
InChIInChI=1S/C15H28N2O3/c1-15(2,3)8-13(19)16-9-14(20)17-12-7-5-4-6-11(12)10-18/h11-12,18H,4-10H2,1-3H3,(H,16,19)(H,17,20)/t11-,12-/m0/s1
InChIKeyBLHSVNWNAOJPOZ-RYUDHWBXSA-N
XLogP1.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 97235338
2-amino-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]acetamide
CID 114178743
2-(tert-butylamino)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 103860522
2-amino-N-[2-[[2-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]acetamide
CID 104872494
3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]propanamide
CID 103816678
3-amino-N-[2-(hydroxymethyl)cyclohexyl]-5,5-dimethylhexanamide
CID 106361550
2-acetamido-N-[2-(aminomethyl)cyclohexyl]acetamide;hydrochloride
CID 119610509
N-[2-(hydroxymethyl)cyclopentyl]-2,2-dimethylpropanamide
CID 103751419
N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide
CID 62358678
N-[2-(hydroxymethyl)cyclopentyl]-2-(prop-2-ynylamino)acetamide
CID 106361263
4-[[2-(hydroxymethyl)cyclohexyl]amino]-4-oxobutanoic acid
CID 106359284
[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 141194189

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide (CID 97235341) is N-[2-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCC(=O)N[C@H]1CCCC[C@H]1CO.
What is the InChIKey of N-[2-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide?
The InChIKey is BLHSVNWNAOJPOZ-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(2,3)8-13(19)16-9-14(20)17-12-7-5-4-6-11(12)10-18/h11-12,18H,4-10H2,1-3H3,(H,16,19)(H,17,20)/t11-,12-/m0/s1.
What are the key properties of N-[2-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide?
N-[2-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide has a molecular weight of 284.40 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 97235341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).