N-(3-acetyl-4-nitrosocyclohex-3-en-1-yl)-N-cyclopropyl-4-propan-2-ylbenzamide

C21H26N2O3 — CID 90378166

IUPACN-(3-acetyl-4-nitrosocyclohex-3-en-1-yl)-N-cyclopropyl-4-propan-2-ylbenzamide
SMILESCC(=O)C1=C(N=O)CCC(N(C(=O)c2ccc(C(C)C)cc2)C2CC2)C1
InChIInChI=1S/C21H26N2O3/c1-13(2)15-4-6-16(7-5-15)21(25)23(17-8-9-17)18-10-11-20(22-26)19(12-18)14(3)24/h4-7,13,17-18H,8-12H2,1-3H3
InChIKeyGVAAQFMHWAPMHO-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.58
Rot. Bonds6

About N-(3-acetyl-4-nitrosocyclohex-3-en-1-yl)-N-cyclopropyl-4-propan-2-ylbenzamide

N-(3-acetyl-4-nitrosocyclohex-3-en-1-yl)-N-cyclopropyl-4-propan-2-ylbenzamide (PubChem CID 90378166) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(3-acetyl-4-nitrosocyclohex-3-en-1-yl)-N-cyclopropyl-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-acetyl-4-nitrosocyclohex-3-en-1-yl)-N-cyclopropyl-4-propan-2-ylbenzamide
PubChem CID90378166
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-(3-acetyl-4-nitrosocyclohex-3-en-1-yl)-N-cyclopropyl-4-propan-2-ylbenzamide
SMILESCC(=O)C1=C(N=O)CCC(N(C(=O)c2ccc(C(C)C)cc2)C2CC2)C1
InChIInChI=1S/C21H26N2O3/c1-13(2)15-4-6-16(7-5-15)21(25)23(17-8-9-17)18-10-11-20(22-26)19(12-18)14(3)24/h4-7,13,17-18H,8-12H2,1-3H3
InChIKeyGVAAQFMHWAPMHO-UHFFFAOYSA-N
XLogP4.58
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-(4-oxocyclohexyl)-4-propan-2-yloxybenzamide
CID 90370061
N-cyclopropyl-4-(2,2-difluoro-1-sulfanylpropyl)-N-(4-fluorocyclohexyl)benzamide
CID 143594852
N-ethyl-N-piperidin-4-yl-4-propan-2-ylbenzamide
CID 60805737
N-(2-aminoethyl)-N-cyclopentyl-4-propan-2-ylbenzamide
CID 63755155
N-(azetidin-3-yl)-N-ethyl-4-propan-2-ylbenzamide
CID 66184231
ethane;1-(4-propan-2-ylphenyl)ethanone
CID 143075063
2-[4-[cyclopropyl-[4-(1-fluoro-1-phosphanylpropan-2-yl)benzoyl]amino]cyclohexyl]acetic acid;fluoromethane
CID 143379483
N-cyclopropyl-N-(4-phenylcyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide
CID 143379429
4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)benzamide
CID 119733265
1,1-dicyclohexyl-3-(4-propan-2-ylphenyl)urea
CID 4171224
N-cyclopropyl-4-(1,1-difluoro-2-methylpropyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide
CID 158177891
N-cyclopropyl-4-[(1S)-1-phenylethoxy]-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide
CID 149276157

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-4-nitrosocyclohex-3-en-1-yl)-N-cyclopropyl-4-propan-2-ylbenzamide?
The IUPAC name of N-(3-acetyl-4-nitrosocyclohex-3-en-1-yl)-N-cyclopropyl-4-propan-2-ylbenzamide (CID 90378166) is N-(3-acetyl-4-nitrosocyclohex-3-en-1-yl)-N-cyclopropyl-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-acetyl-4-nitrosocyclohex-3-en-1-yl)-N-cyclopropyl-4-propan-2-ylbenzamide?
The canonical SMILES for N-(3-acetyl-4-nitrosocyclohex-3-en-1-yl)-N-cyclopropyl-4-propan-2-ylbenzamide is CC(=O)C1=C(N=O)CCC(N(C(=O)c2ccc(C(C)C)cc2)C2CC2)C1.
What is the InChIKey of N-(3-acetyl-4-nitrosocyclohex-3-en-1-yl)-N-cyclopropyl-4-propan-2-ylbenzamide?
The InChIKey is GVAAQFMHWAPMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-13(2)15-4-6-16(7-5-15)21(25)23(17-8-9-17)18-10-11-20(22-26)19(12-18)14(3)24/h4-7,13,17-18H,8-12H2,1-3H3.
What are the key properties of N-(3-acetyl-4-nitrosocyclohex-3-en-1-yl)-N-cyclopropyl-4-propan-2-ylbenzamide?
N-(3-acetyl-4-nitrosocyclohex-3-en-1-yl)-N-cyclopropyl-4-propan-2-ylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-4-nitrosocyclohex-3-en-1-yl)-N-cyclopropyl-4-propan-2-ylbenzamide is sourced from PubChem (CID 90378166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).