2-amino-3-methoxy-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide

C19H24N2O3 — CID 120988950

IUPAC2-amino-3-methoxy-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide
SMILESCOCC(N)C(=O)Nc1ccc(OC(C)c2ccccc2)cc1C
InChIInChI=1S/C19H24N2O3/c1-13-11-16(24-14(2)15-7-5-4-6-8-15)9-10-18(13)21-19(22)17(20)12-23-3/h4-11,14,17H,12,20H2,1-3H3,(H,21,22)
InChIKeyWRCZDLKWTSQBHA-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.05
Rot. Bonds7

About 2-amino-3-methoxy-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide

2-amino-3-methoxy-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide (PubChem CID 120988950) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide
PubChem CID120988950
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-amino-3-methoxy-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide
SMILESCOCC(N)C(=O)Nc1ccc(OC(C)c2ccccc2)cc1C
InChIInChI=1S/C19H24N2O3/c1-13-11-16(24-14(2)15-7-5-4-6-8-15)9-10-18(13)21-19(22)17(20)12-23-3/h4-11,14,17H,12,20H2,1-3H3,(H,21,22)
InChIKeyWRCZDLKWTSQBHA-UHFFFAOYSA-N
XLogP3.05
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(methylamino)-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide;hydrochloride
CID 119773715
(2S)-2-(carbamoylamino)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]propanamide
CID 95296217
2-amino-N-(2,4-dimethylphenyl)-3-methoxypropanamide
CID 81082397
2-amino-5-methoxy-N-(2-methyl-4-propan-2-yloxyphenyl)pentanamide
CID 81071157
2-amino-3-methoxy-N-(5-methoxy-2-methylphenyl)propanamide
CID 114252735
methyl 2-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylphenoxy]acetate;hydrochloride
CID 119299831
2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid
CID 81088004
2-amino-3-methoxy-N-(2-propan-2-yloxyphenyl)propanamide
CID 81083212
(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
2-methyl-4-[(1S)-1-phenylethoxy]aniline
CID 51684094
(2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
CID 92930680

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide?
The IUPAC name of 2-amino-3-methoxy-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide (CID 120988950) is 2-amino-3-methoxy-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide is COCC(N)C(=O)Nc1ccc(OC(C)c2ccccc2)cc1C.
What is the InChIKey of 2-amino-3-methoxy-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide?
The InChIKey is WRCZDLKWTSQBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13-11-16(24-14(2)15-7-5-4-6-8-15)9-10-18(13)21-19(22)17(20)12-23-3/h4-11,14,17H,12,20H2,1-3H3,(H,21,22).
What are the key properties of 2-amino-3-methoxy-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide?
2-amino-3-methoxy-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide has a molecular weight of 328.41 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide is sourced from PubChem (CID 120988950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).