[1-(4-acetylcyclohexyl)-2,2-dimethylpropyl]carbamic acid

C14H25NO3 — CID 175158520

IUPAC[1-(4-acetylcyclohexyl)-2,2-dimethylpropyl]carbamic acid
SMILESCC(=O)C1CCC(C(NC(=O)O)C(C)(C)C)CC1
InChIInChI=1S/C14H25NO3/c1-9(16)10-5-7-11(8-6-10)12(14(2,3)4)15-13(17)18/h10-12,15H,5-8H2,1-4H3,(H,17,18)
InChIKeyRRCPOULDVATHGV-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.06
Rot. Bonds3

About [1-(4-acetylcyclohexyl)-2,2-dimethylpropyl]carbamic acid

[1-(4-acetylcyclohexyl)-2,2-dimethylpropyl]carbamic acid (PubChem CID 175158520) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is [1-(4-acetylcyclohexyl)-2,2-dimethylpropyl]carbamic acid.

Molecular Properties

Compound Name[1-(4-acetylcyclohexyl)-2,2-dimethylpropyl]carbamic acid
PubChem CID175158520
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name[1-(4-acetylcyclohexyl)-2,2-dimethylpropyl]carbamic acid
SMILESCC(=O)C1CCC(C(NC(=O)O)C(C)(C)C)CC1
InChIInChI=1S/C14H25NO3/c1-9(16)10-5-7-11(8-6-10)12(14(2,3)4)15-13(17)18/h10-12,15H,5-8H2,1-4H3,(H,17,18)
InChIKeyRRCPOULDVATHGV-UHFFFAOYSA-N
XLogP3.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(4-propan-2-ylcyclohexyl)ethanone
CID 144871245
[2,2-dimethyl-1-[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]propyl]carbamic acid
CID 66989542
1-amino-3-(1-cyclopropyl-2,2-dimethylpropyl)thiourea
CID 131021251
(1-hydroxy-3,3-dimethyl-1-piperidin-4-ylbutan-2-yl)carbamic acid
CID 69483125
N-(4-acetylcyclohexyl)-2,2-dimethylpropanamide
CID 58356113
N-(4-acetylcyclohexyl)-2-hydroxy-2-methylpropanamide
CID 58356146
2-amino-N-(1-cyclopropylethyl)-3,3-dimethylbutanamide
CID 76893105
2-[(2-amino-2-methylpropanoyl)amino]-2-cyclopropylacetic acid
CID 62696214
1-(thian-4-yl)ethanone
CID 18715066
4-acetylcyclohexane-1-carbonyl chloride
CID 118944130
1-(4-bromocyclohexyl)ethanone
CID 118688836
(2S)-2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxyacetamide
CID 172508642

Frequently Asked Questions

What is the IUPAC name of [1-(4-acetylcyclohexyl)-2,2-dimethylpropyl]carbamic acid?
The IUPAC name of [1-(4-acetylcyclohexyl)-2,2-dimethylpropyl]carbamic acid (CID 175158520) is [1-(4-acetylcyclohexyl)-2,2-dimethylpropyl]carbamic acid.
What is the SMILES notation for [1-(4-acetylcyclohexyl)-2,2-dimethylpropyl]carbamic acid?
The canonical SMILES for [1-(4-acetylcyclohexyl)-2,2-dimethylpropyl]carbamic acid is CC(=O)C1CCC(C(NC(=O)O)C(C)(C)C)CC1.
What is the InChIKey of [1-(4-acetylcyclohexyl)-2,2-dimethylpropyl]carbamic acid?
The InChIKey is RRCPOULDVATHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-9(16)10-5-7-11(8-6-10)12(14(2,3)4)15-13(17)18/h10-12,15H,5-8H2,1-4H3,(H,17,18).
What are the key properties of [1-(4-acetylcyclohexyl)-2,2-dimethylpropyl]carbamic acid?
[1-(4-acetylcyclohexyl)-2,2-dimethylpropyl]carbamic acid has a molecular weight of 255.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-acetylcyclohexyl)-2,2-dimethylpropyl]carbamic acid is sourced from PubChem (CID 175158520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).