N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbutanamide

C13H25NO2 — CID 106121936

IUPACN-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)NCC1CCC(O)CC1
InChIInChI=1S/C13H25NO2/c1-9(2)10(3)13(16)14-8-11-4-6-12(15)7-5-11/h9-12,15H,4-8H2,1-3H3,(H,14,16)
InChIKeyJNXNXNHLUGSHQN-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.95
Rot. Bonds4

About N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbutanamide

N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbutanamide (PubChem CID 106121936) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbutanamide
PubChem CID106121936
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)NCC1CCC(O)CC1
InChIInChI=1S/C13H25NO2/c1-9(2)10(3)13(16)14-8-11-4-6-12(15)7-5-11/h9-12,15H,4-8H2,1-3H3,(H,14,16)
InChIKeyJNXNXNHLUGSHQN-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide
CID 106123043
N-[(4-hydroxycyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 106135488
N-[(3-hydroxycyclopentyl)methyl]-2-methoxypropanamide
CID 103279856
N-(cyclopropylmethyl)-2-hydroxypropanamide
CID 131088894
2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide
CID 106135774
ethyl 2-amino-3-[(4-hydroxycyclohexyl)methylamino]-3-oxopropanoate
CID 106135415
N-[(4-hydroxycyclohexyl)methyl]-2-phenylpropanamide
CID 106123788
2-amino-N-(cyclopropylmethyl)propanamide
CID 24690233
2-amino-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 106134063
N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylpropanamide
CID 106137756
2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]pentanamide
CID 106135811
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbutanamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbutanamide (CID 106121936) is N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbutanamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbutanamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbutanamide is CC(C)C(C)C(=O)NCC1CCC(O)CC1.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbutanamide?
The InChIKey is JNXNXNHLUGSHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-9(2)10(3)13(16)14-8-11-4-6-12(15)7-5-11/h9-12,15H,4-8H2,1-3H3,(H,14,16).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbutanamide?
N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbutanamide has a molecular weight of 227.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbutanamide is sourced from PubChem (CID 106121936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).