N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide

C21H32N2O3 — CID 43039188

IUPACN-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCC(C)C(NC(=O)C1CCCCC1)C(=O)N(C)CCOc1ccccc1
InChIInChI=1S/C21H32N2O3/c1-16(2)19(22-20(24)17-10-6-4-7-11-17)21(25)23(3)14-15-26-18-12-8-5-9-13-18/h5,8-9,12-13,16-17,19H,4,6-7,10-11,14-15H2,1-3H3,(H,22,24)
InChIKeyFIZIWDAOJMSUOG-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.24
Rot. Bonds8

About N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide

N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide (PubChem CID 43039188) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide
PubChem CID43039188
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCC(C)C(NC(=O)C1CCCCC1)C(=O)N(C)CCOc1ccccc1
InChIInChI=1S/C21H32N2O3/c1-16(2)19(22-20(24)17-10-6-4-7-11-17)21(25)23(3)14-15-26-18-12-8-5-9-13-18/h5,8-9,12-13,16-17,19H,4,6-7,10-11,14-15H2,1-3H3,(H,22,24)
InChIKeyFIZIWDAOJMSUOG-UHFFFAOYSA-N
XLogP3.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51195458
2-(aminomethyl)-N,3-dimethyl-N-(2-phenoxyethyl)butanamide
CID 65229723
N-[(2R)-1-[3-(3,4-dimethoxyphenyl)propyl-methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 30174089
N-[(2R)-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 30171573
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
1-cycloheptyl-3-phenoxypropan-1-one
CID 82932359
N'-(2-phenoxyacetyl)cyclohexanecarbohydrazide
CID 695727
N-[2-[[N,N'-dimethyl-N-(2-phenoxyethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111273615
N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 94521670
(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 972243
N-[1-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 43047848

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide (CID 43039188) is N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide is CC(C)C(NC(=O)C1CCCCC1)C(=O)N(C)CCOc1ccccc1.
What is the InChIKey of N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide?
The InChIKey is FIZIWDAOJMSUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-16(2)19(22-20(24)17-10-6-4-7-11-17)21(25)23(3)14-15-26-18-12-8-5-9-13-18/h5,8-9,12-13,16-17,19H,4,6-7,10-11,14-15H2,1-3H3,(H,22,24).
What are the key properties of N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide?
N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide has a molecular weight of 360.50 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 43039188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).