methyl N-[4-methyl-1-[3-[(3-methylcyclohexyl)oxymethyl]anilino]-1-oxopentan-2-yl]carbamate

C22H34N2O4 — CID 60599927

IUPACmethyl N-[4-methyl-1-[3-[(3-methylcyclohexyl)oxymethyl]anilino]-1-oxopentan-2-yl]carbamate
SMILESCOC(=O)NC(CC(C)C)C(=O)Nc1cccc(COC2CCCC(C)C2)c1
InChIInChI=1S/C22H34N2O4/c1-15(2)11-20(24-22(26)27-4)21(25)23-18-9-6-8-17(13-18)14-28-19-10-5-7-16(3)12-19/h6,8-9,13,15-16,19-20H,5,7,10-12,14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyMLMXLCWDEGFYJA-UHFFFAOYSA-N
MW390.52 g/mol
LogP4.49
Rot. Bonds8

About methyl N-[4-methyl-1-[3-[(3-methylcyclohexyl)oxymethyl]anilino]-1-oxopentan-2-yl]carbamate

methyl N-[4-methyl-1-[3-[(3-methylcyclohexyl)oxymethyl]anilino]-1-oxopentan-2-yl]carbamate (PubChem CID 60599927) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is methyl N-[4-methyl-1-[3-[(3-methylcyclohexyl)oxymethyl]anilino]-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-methyl-1-[3-[(3-methylcyclohexyl)oxymethyl]anilino]-1-oxopentan-2-yl]carbamate
PubChem CID60599927
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC Namemethyl N-[4-methyl-1-[3-[(3-methylcyclohexyl)oxymethyl]anilino]-1-oxopentan-2-yl]carbamate
SMILESCOC(=O)NC(CC(C)C)C(=O)Nc1cccc(COC2CCCC(C)C2)c1
InChIInChI=1S/C22H34N2O4/c1-15(2)11-20(24-22(26)27-4)21(25)23-18-9-6-8-17(13-18)14-28-19-10-5-7-16(3)12-19/h6,8-9,13,15-16,19-20H,5,7,10-12,14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyMLMXLCWDEGFYJA-UHFFFAOYSA-N
XLogP4.49
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl N-[4-methyl-1-[3-[(3-methylcyclohexyl)oxymethyl]anilino]-1-oxopentan-2-yl]carbamate with MolForge

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Related Compounds

2-hydroxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 75437260
4-amino-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]pentanamide;hydrochloride
CID 120561478
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 71936006
4-amino-3-methoxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]butanamide
CID 120590544
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]azepane-1-carboxamide
CID 71883147
2-(cyclopropylmethylamino)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 119754463
N'-[1-(3-methoxyphenyl)propan-2-yl]-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]oxamide
CID 86943907
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-N'-(1-pyridin-4-ylethyl)oxamide
CID 86864516
2-tert-butylsulfanyl-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 60599967
N-(2,5-dimethoxyphenyl)-2-[3-[(3-methylcyclohexyl)oxymethyl]anilino]propanamide
CID 60600445
N-[3-(cyclohexyloxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119753884
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306626

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-methyl-1-[3-[(3-methylcyclohexyl)oxymethyl]anilino]-1-oxopentan-2-yl]carbamate?
The IUPAC name of methyl N-[4-methyl-1-[3-[(3-methylcyclohexyl)oxymethyl]anilino]-1-oxopentan-2-yl]carbamate (CID 60599927) is methyl N-[4-methyl-1-[3-[(3-methylcyclohexyl)oxymethyl]anilino]-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for methyl N-[4-methyl-1-[3-[(3-methylcyclohexyl)oxymethyl]anilino]-1-oxopentan-2-yl]carbamate?
The canonical SMILES for methyl N-[4-methyl-1-[3-[(3-methylcyclohexyl)oxymethyl]anilino]-1-oxopentan-2-yl]carbamate is COC(=O)NC(CC(C)C)C(=O)Nc1cccc(COC2CCCC(C)C2)c1.
What is the InChIKey of methyl N-[4-methyl-1-[3-[(3-methylcyclohexyl)oxymethyl]anilino]-1-oxopentan-2-yl]carbamate?
The InChIKey is MLMXLCWDEGFYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-15(2)11-20(24-22(26)27-4)21(25)23-18-9-6-8-17(13-18)14-28-19-10-5-7-16(3)12-19/h6,8-9,13,15-16,19-20H,5,7,10-12,14H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of methyl N-[4-methyl-1-[3-[(3-methylcyclohexyl)oxymethyl]anilino]-1-oxopentan-2-yl]carbamate?
methyl N-[4-methyl-1-[3-[(3-methylcyclohexyl)oxymethyl]anilino]-1-oxopentan-2-yl]carbamate has a molecular weight of 390.52 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-methyl-1-[3-[(3-methylcyclohexyl)oxymethyl]anilino]-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 60599927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).