N-benzyl-N-tert-butyl-3-(2-oxocyclohexyl)propanamide

C20H29NO2 — CID 171989434

IUPACN-benzyl-N-tert-butyl-3-(2-oxocyclohexyl)propanamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)CCC1CCCCC1=O
InChIInChI=1S/C20H29NO2/c1-20(2,3)21(15-16-9-5-4-6-10-16)19(23)14-13-17-11-7-8-12-18(17)22/h4-6,9-10,17H,7-8,11-15H2,1-3H3
InChIKeyVPHBVYFUFNOCSM-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.35
Rot. Bonds5

About N-benzyl-N-tert-butyl-3-(2-oxocyclohexyl)propanamide

N-benzyl-N-tert-butyl-3-(2-oxocyclohexyl)propanamide (PubChem CID 171989434) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is N-benzyl-N-tert-butyl-3-(2-oxocyclohexyl)propanamide.

Molecular Properties

Compound NameN-benzyl-N-tert-butyl-3-(2-oxocyclohexyl)propanamide
PubChem CID171989434
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC NameN-benzyl-N-tert-butyl-3-(2-oxocyclohexyl)propanamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)CCC1CCCCC1=O
InChIInChI=1S/C20H29NO2/c1-20(2,3)21(15-16-9-5-4-6-10-16)19(23)14-13-17-11-7-8-12-18(17)22/h4-6,9-10,17H,7-8,11-15H2,1-3H3
InChIKeyVPHBVYFUFNOCSM-UHFFFAOYSA-N
XLogP4.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-tert-butyl-3-[(1R,2S)-2-hydroxy-2-phenylcyclohexyl]propanamide
CID 991906
2-(3-oxo-3-phenylpropyl)cyclohexan-1-one
CID 2751330
2-(3-oxo-3-phenylpropyl)cycloheptan-1-one
CID 10824211
2-(3-phenylpropyl)cyclotetradecan-1-one
CID 140989755
N-benzyl-N-tert-butyl-2-(cyclopropylamino)acetamide
CID 54773142
2-[[benzyl(ethyl)amino]methyl]cyclohexan-1-one
CID 62614565
3-[(1R)-2-oxocyclododecyl]propanoic acid
CID 7018981
N-benzyl-N-tert-butyl-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 51370669
2-(2-phenylmethoxyethyl)cyclohexan-1-one
CID 561952
1,1'-biphenyl;2-pentylcyclohexan-1-one
CID 174847446
N-benzyl-N-tert-butyl-2,2,2-trichloroacetamide
CID 15830435
2-[2-(2-phenylethoxy)ethyl]cyclohexan-1-one
CID 141155106

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-tert-butyl-3-(2-oxocyclohexyl)propanamide?
The IUPAC name of N-benzyl-N-tert-butyl-3-(2-oxocyclohexyl)propanamide (CID 171989434) is N-benzyl-N-tert-butyl-3-(2-oxocyclohexyl)propanamide.
What is the SMILES notation for N-benzyl-N-tert-butyl-3-(2-oxocyclohexyl)propanamide?
The canonical SMILES for N-benzyl-N-tert-butyl-3-(2-oxocyclohexyl)propanamide is CC(C)(C)N(Cc1ccccc1)C(=O)CCC1CCCCC1=O.
What is the InChIKey of N-benzyl-N-tert-butyl-3-(2-oxocyclohexyl)propanamide?
The InChIKey is VPHBVYFUFNOCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-20(2,3)21(15-16-9-5-4-6-10-16)19(23)14-13-17-11-7-8-12-18(17)22/h4-6,9-10,17H,7-8,11-15H2,1-3H3.
What are the key properties of N-benzyl-N-tert-butyl-3-(2-oxocyclohexyl)propanamide?
N-benzyl-N-tert-butyl-3-(2-oxocyclohexyl)propanamide has a molecular weight of 315.46 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-tert-butyl-3-(2-oxocyclohexyl)propanamide is sourced from PubChem (CID 171989434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).