N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-methylcyclohexane-1-carboxamide

C19H30N2O — CID 154578033

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-methylcyclohexane-1-carboxamide
SMILESCC(C)c1ccc(C(N)CNC(=O)C2(C)CCCCC2)cc1
InChIInChI=1S/C19H30N2O/c1-14(2)15-7-9-16(10-8-15)17(20)13-21-18(22)19(3)11-5-4-6-12-19/h7-10,14,17H,4-6,11-13,20H2,1-3H3,(H,21,22)
InChIKeyMTAHWPFFEQLYRS-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.90
Rot. Bonds5

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-methylcyclohexane-1-carboxamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-methylcyclohexane-1-carboxamide (PubChem CID 154578033) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-methylcyclohexane-1-carboxamide
PubChem CID154578033
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-methylcyclohexane-1-carboxamide
SMILESCC(C)c1ccc(C(N)CNC(=O)C2(C)CCCCC2)cc1
InChIInChI=1S/C19H30N2O/c1-14(2)15-7-9-16(10-8-15)17(20)13-21-18(22)19(3)11-5-4-6-12-19/h7-10,14,17H,4-6,11-13,20H2,1-3H3,(H,21,22)
InChIKeyMTAHWPFFEQLYRS-UHFFFAOYSA-N
XLogP3.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-phenylethyl)-1-methylcyclopentane-1-carboxamide;hydrochloride
CID 119529565
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide
CID 119525287
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(4-methylphenyl)oxane-4-carboxamide
CID 119526063
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119525798
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
CID 119525936
2-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 119526121
N-(2-amino-2-phenylethyl)-2-methylthiolane-2-carboxamide
CID 81452923
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(cyclohexylcarbamoylamino)acetamide
CID 119526973
4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 119526891
(2S)-2-hydroxy-3-[(1-methylcyclohexanecarbonyl)amino]propanoic acid
CID 107833610
N-(4-bromo-2-methylbutyl)-1-methylcyclohexane-1-carboxamide
CID 106829044
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
CID 119526933

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-methylcyclohexane-1-carboxamide (CID 154578033) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-methylcyclohexane-1-carboxamide is CC(C)c1ccc(C(N)CNC(=O)C2(C)CCCCC2)cc1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-methylcyclohexane-1-carboxamide?
The InChIKey is MTAHWPFFEQLYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-14(2)15-7-9-16(10-8-15)17(20)13-21-18(22)19(3)11-5-4-6-12-19/h7-10,14,17H,4-6,11-13,20H2,1-3H3,(H,21,22).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-methylcyclohexane-1-carboxamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-methylcyclohexane-1-carboxamide has a molecular weight of 302.46 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 154578033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).