N-methyl-2-(3-methylcyclohexyl)oxy-N-(2-phenylethyl)propanamide

C19H29NO2 — CID 86960738

IUPACN-methyl-2-(3-methylcyclohexyl)oxy-N-(2-phenylethyl)propanamide
SMILESCC1CCCC(OC(C)C(=O)N(C)CCc2ccccc2)C1
InChIInChI=1S/C19H29NO2/c1-15-8-7-11-18(14-15)22-16(2)19(21)20(3)13-12-17-9-5-4-6-10-17/h4-6,9-10,15-16,18H,7-8,11-14H2,1-3H3
InChIKeyRJIVUGKPROVYTL-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.67
Rot. Bonds6

About N-methyl-2-(3-methylcyclohexyl)oxy-N-(2-phenylethyl)propanamide

N-methyl-2-(3-methylcyclohexyl)oxy-N-(2-phenylethyl)propanamide (PubChem CID 86960738) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-methyl-2-(3-methylcyclohexyl)oxy-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-methyl-2-(3-methylcyclohexyl)oxy-N-(2-phenylethyl)propanamide
PubChem CID86960738
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC NameN-methyl-2-(3-methylcyclohexyl)oxy-N-(2-phenylethyl)propanamide
SMILESCC1CCCC(OC(C)C(=O)N(C)CCc2ccccc2)C1
InChIInChI=1S/C19H29NO2/c1-15-8-7-11-18(14-15)22-16(2)19(21)20(3)13-12-17-9-5-4-6-10-17/h4-6,9-10,15-16,18H,7-8,11-14H2,1-3H3
InChIKeyRJIVUGKPROVYTL-UHFFFAOYSA-N
XLogP3.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(2S)-3-oxo-4-phenylbutan-2-yl]propanamide
CID 97238760
(2R)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(2R)-3-oxo-4-phenylbutan-2-yl]propanamide
CID 98852285
N,2-dimethyl-N-(2-phenylethyl)propanamide
CID 22954091
(2R)-2-amino-N-methyl-N-(2-phenylethyl)propanamide
CID 78973247
N-methyl-N-(2-phenylethyl)-2-sulfanylpropanamide
CID 107031339
2-[[(2S)-2-[(1S,3R)-3-methylcyclohexyl]oxypropanoyl]amino]acetic acid
CID 124690180
2-[[(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxypropanoyl]amino]acetic acid
CID 124689895
(3-methylcyclohexyl) 2,4-dimethyl-5-phenylpentanoate
CID 90915141
(2R)-2-amino-N,3-dimethyl-N-(2-phenylethyl)butanamide
CID 79012795
N-[3-[ethyl(methyl)amino]phenyl]-2-(3-methylcyclohexyl)oxypropanamide
CID 86960782
4-hydroxy-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 65487736
(3-methylcyclohexyl) 2-(methylamino)-3-phenylpropanoate
CID 145335677

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylcyclohexyl)oxy-N-(2-phenylethyl)propanamide?
The IUPAC name of N-methyl-2-(3-methylcyclohexyl)oxy-N-(2-phenylethyl)propanamide (CID 86960738) is N-methyl-2-(3-methylcyclohexyl)oxy-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-methyl-2-(3-methylcyclohexyl)oxy-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-methyl-2-(3-methylcyclohexyl)oxy-N-(2-phenylethyl)propanamide is CC1CCCC(OC(C)C(=O)N(C)CCc2ccccc2)C1.
What is the InChIKey of N-methyl-2-(3-methylcyclohexyl)oxy-N-(2-phenylethyl)propanamide?
The InChIKey is RJIVUGKPROVYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-15-8-7-11-18(14-15)22-16(2)19(21)20(3)13-12-17-9-5-4-6-10-17/h4-6,9-10,15-16,18H,7-8,11-14H2,1-3H3.
What are the key properties of N-methyl-2-(3-methylcyclohexyl)oxy-N-(2-phenylethyl)propanamide?
N-methyl-2-(3-methylcyclohexyl)oxy-N-(2-phenylethyl)propanamide has a molecular weight of 303.45 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylcyclohexyl)oxy-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 86960738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).