4-tert-butyl-N-(2-cyclopropyl-2-hydroxyethyl)cyclohexane-1-carboxamide

C16H29NO2 — CID 63298695

IUPAC4-tert-butyl-N-(2-cyclopropyl-2-hydroxyethyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)NCC(O)C2CC2)CC1
InChIInChI=1S/C16H29NO2/c1-16(2,3)13-8-6-12(7-9-13)15(19)17-10-14(18)11-4-5-11/h11-14,18H,4-10H2,1-3H3,(H,17,19)
InChIKeyNIVSELMGTYXMHF-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.73
Rot. Bonds4

About 4-tert-butyl-N-(2-cyclopropyl-2-hydroxyethyl)cyclohexane-1-carboxamide

4-tert-butyl-N-(2-cyclopropyl-2-hydroxyethyl)cyclohexane-1-carboxamide (PubChem CID 63298695) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-cyclopropyl-2-hydroxyethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-cyclopropyl-2-hydroxyethyl)cyclohexane-1-carboxamide
PubChem CID63298695
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name4-tert-butyl-N-(2-cyclopropyl-2-hydroxyethyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)NCC(O)C2CC2)CC1
InChIInChI=1S/C16H29NO2/c1-16(2,3)13-8-6-12(7-9-13)15(19)17-10-14(18)11-4-5-11/h11-14,18H,4-10H2,1-3H3,(H,17,19)
InChIKeyNIVSELMGTYXMHF-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-N-(2-cyclopropyl-2-hydroxyethyl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 83030657
4-tert-butyl-N-(2-hydroxy-3-methylbutyl)cyclohexane-1-carboxamide
CID 115744551
N-(2-cyclopropyl-2-hydroxyethyl)-4-hydroxycyclohexane-1-carboxamide
CID 136538686
methyl 3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-hydroxypropanoate
CID 103958175
3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-methylpropanoic acid
CID 62674977
4-tert-butyl-N-(3-chloro-2-methylpropyl)cyclohexane-1-carboxamide
CID 114302699
4-tert-butyl-N-(cyanomethyl)cyclohexane-1-carboxamide
CID 62400506
1-tert-butyl-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 63298478
2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide
CID 63297255
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
N-[2-[(4-tert-butylcyclohexyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115647673
N-(2-bromopropyl)cyclopropanecarboxamide
CID 114308592

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-cyclopropyl-2-hydroxyethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(2-cyclopropyl-2-hydroxyethyl)cyclohexane-1-carboxamide (CID 63298695) is 4-tert-butyl-N-(2-cyclopropyl-2-hydroxyethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(2-cyclopropyl-2-hydroxyethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(2-cyclopropyl-2-hydroxyethyl)cyclohexane-1-carboxamide is CC(C)(C)C1CCC(C(=O)NCC(O)C2CC2)CC1.
What is the InChIKey of 4-tert-butyl-N-(2-cyclopropyl-2-hydroxyethyl)cyclohexane-1-carboxamide?
The InChIKey is NIVSELMGTYXMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-16(2,3)13-8-6-12(7-9-13)15(19)17-10-14(18)11-4-5-11/h11-14,18H,4-10H2,1-3H3,(H,17,19).
What are the key properties of 4-tert-butyl-N-(2-cyclopropyl-2-hydroxyethyl)cyclohexane-1-carboxamide?
4-tert-butyl-N-(2-cyclopropyl-2-hydroxyethyl)cyclohexane-1-carboxamide has a molecular weight of 267.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-cyclopropyl-2-hydroxyethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63298695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).