2-methyl-3-(methylamino)-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide;hydrochloride

C20H27ClN2O2 — CID 119773715

IUPAC2-methyl-3-(methylamino)-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(OC(C)c2ccccc2)cc1C.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-14-12-18(24-16(3)17-8-6-5-7-9-17)10-11-19(14)22-20(23)15(2)13-21-4;/h5-12,15-16,21H,13H2,1-4H3,(H,22,23);1H
InChIKeyPYRXRDGMIBTJJO-UHFFFAOYSA-N
MW362.90 g/mol
LogP4.35
Rot. Bonds7

About 2-methyl-3-(methylamino)-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide;hydrochloride

2-methyl-3-(methylamino)-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide;hydrochloride (PubChem CID 119773715) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide;hydrochloride
PubChem CID119773715
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name2-methyl-3-(methylamino)-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(OC(C)c2ccccc2)cc1C.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-14-12-18(24-16(3)17-8-6-5-7-9-17)10-11-19(14)22-20(23)15(2)13-21-4;/h5-12,15-16,21H,13H2,1-4H3,(H,22,23);1H
InChIKeyPYRXRDGMIBTJJO-UHFFFAOYSA-N
XLogP4.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methoxy-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide
CID 120988950
(2S)-2-(carbamoylamino)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]propanamide
CID 95296217
3-chloro-2-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
CID 62727955
(2R)-N-[2-methyl-4-[(1S)-1-phenylethoxy]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95348677
(2R)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95348679
(2S,4S)-2-methyl-N-[2-methyl-4-(1-phenylethoxy)phenyl]piperidine-4-carboxamide
CID 120630841
2-methyl-4-[(1S)-1-phenylethoxy]aniline
CID 51684094
2-methyl-3-(methylamino)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 119725692
N-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195727
N-[2-methyl-4-(1-phenylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938718
2-methyl-3-(methylamino)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]propanamide
CID 119725693
2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide;hydrochloride
CID 119674747

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide;hydrochloride (CID 119773715) is 2-methyl-3-(methylamino)-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide;hydrochloride is CNCC(C)C(=O)Nc1ccc(OC(C)c2ccccc2)cc1C.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide;hydrochloride?
The InChIKey is PYRXRDGMIBTJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2.ClH/c1-14-12-18(24-16(3)17-8-6-5-7-9-17)10-11-19(14)22-20(23)15(2)13-21-4;/h5-12,15-16,21H,13H2,1-4H3,(H,22,23);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide;hydrochloride has a molecular weight of 362.90 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119773715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).