2-(1-aminocyclohexyl)-N-(4-propan-2-ylphenyl)acetamide

C17H26N2O — CID 64684135

IUPAC2-(1-aminocyclohexyl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CC2(N)CCCCC2)cc1
InChIInChI=1S/C17H26N2O/c1-13(2)14-6-8-15(9-7-14)19-16(20)12-17(18)10-4-3-5-11-17/h6-9,13H,3-5,10-12,18H2,1-2H3,(H,19,20)
InChIKeyAKCUNQCKGZIPDL-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.80
Rot. Bonds4

About 2-(1-aminocyclohexyl)-N-(4-propan-2-ylphenyl)acetamide

2-(1-aminocyclohexyl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 64684135) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID64684135
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(1-aminocyclohexyl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CC2(N)CCCCC2)cc1
InChIInChI=1S/C17H26N2O/c1-13(2)14-6-8-15(9-7-14)19-16(20)12-17(18)10-4-3-5-11-17/h6-9,13H,3-5,10-12,18H2,1-2H3,(H,19,20)
InChIKeyAKCUNQCKGZIPDL-UHFFFAOYSA-N
XLogP3.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclopentyl)-N-(4-tert-butylphenyl)acetamide
CID 64686111
1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119262760
4-[[2-(1-aminocyclopentyl)acetyl]amino]benzoic acid
CID 64678175
2-(1-aminocyclopentyl)-N-[4-(diethylamino)phenyl]acetamide
CID 64685802
methyl N-[4-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]carbamate
CID 79854067
propan-2-yl 4-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate
CID 79843320
2-(1-aminocyclobutyl)-N-[4-(dimethylamino)phenyl]acetamide
CID 79851270
2-(1-aminocyclopentyl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 64683969
2-(1-aminocyclobutyl)-N-[4-(methoxymethyl)phenyl]acetamide
CID 114253141
2-iodo-N-(4-propan-2-ylphenyl)acetamide
CID 60723215
2-(1-aminocyclopentyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 64683534
2-(1-aminocyclopentyl)-N-(3-chlorophenyl)acetamide
CID 64685930

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-(4-propan-2-ylphenyl)acetamide (CID 64684135) is 2-(1-aminocyclohexyl)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CC2(N)CCCCC2)cc1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is AKCUNQCKGZIPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)14-6-8-15(9-7-14)19-16(20)12-17(18)10-4-3-5-11-17/h6-9,13H,3-5,10-12,18H2,1-2H3,(H,19,20).
What are the key properties of 2-(1-aminocyclohexyl)-N-(4-propan-2-ylphenyl)acetamide?
2-(1-aminocyclohexyl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 274.41 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 64684135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).