N-[(2R)-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide

C22H34N2O3 — CID 30171573

IUPACN-[(2R)-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)[C@H](NC(=O)C1CCCCC1)C(C)C
InChIInChI=1S/C22H34N2O3/c1-15(2)20(23-21(25)17-9-7-6-8-10-17)22(26)24(4)14-18-13-16(3)11-12-19(18)27-5/h11-13,15,17,20H,6-10,14H2,1-5H3,(H,23,25)/t20-/m1/s1
InChIKeyWHRZPEOCNOJERK-HXUWFJFHSA-N
MW374.53 g/mol
LogP3.68
Rot. Bonds7

About N-[(2R)-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide

N-[(2R)-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide (PubChem CID 30171573) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[(2R)-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
PubChem CID30171573
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC NameN-[(2R)-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)[C@H](NC(=O)C1CCCCC1)C(C)C
InChIInChI=1S/C22H34N2O3/c1-15(2)20(23-21(25)17-9-7-6-8-10-17)22(26)24(4)14-18-13-16(3)11-12-19(18)27-5/h11-13,15,17,20H,6-10,14H2,1-5H3,(H,23,25)/t20-/m1/s1
InChIKeyWHRZPEOCNOJERK-HXUWFJFHSA-N
XLogP3.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-[3-(3,4-dimethoxyphenyl)propyl-methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 30174089
N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 60666350
N'-[2-(2-methoxy-5-methylphenyl)acetyl]cyclohexanecarbohydrazide
CID 9327312
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone
CID 80601651
2-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpropanamide
CID 107903015
2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76896843
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]cyclobutanecarboxamide
CID 9262346
N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 43039188
3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 63045582
3-amino-4-[(2-methoxy-5-methylphenyl)methyl-methylamino]-4-oxobutanoic acid
CID 64896727
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
1-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 81172694

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(2R)-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide (CID 30171573) is N-[(2R)-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2R)-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2R)-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide is COc1ccc(C)cc1CN(C)C(=O)[C@H](NC(=O)C1CCCCC1)C(C)C.
What is the InChIKey of N-[(2R)-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide?
The InChIKey is WHRZPEOCNOJERK-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-15(2)20(23-21(25)17-9-7-6-8-10-17)22(26)24(4)14-18-13-16(3)11-12-19(18)27-5/h11-13,15,17,20H,6-10,14H2,1-5H3,(H,23,25)/t20-/m1/s1.
What are the key properties of N-[(2R)-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide?
N-[(2R)-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide has a molecular weight of 374.53 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 30171573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).