(2S)-2-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]propanamide

C19H24N2O2 — CID 119317869

IUPAC(2S)-2-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]propanamide
SMILESCc1cccc(COc2ccc(C(C)NC(=O)[C@H](C)N)cc2)c1
InChIInChI=1S/C19H24N2O2/c1-13-5-4-6-16(11-13)12-23-18-9-7-17(8-10-18)15(3)21-19(22)14(2)20/h4-11,14-15H,12,20H2,1-3H3,(H,21,22)/t14-,15?/m0/s1
InChIKeyTWMMJEXJCQZJAY-MLCCFXAWSA-N
MW312.41 g/mol
LogP3.10
Rot. Bonds6

About (2S)-2-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]propanamide

(2S)-2-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]propanamide (PubChem CID 119317869) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]propanamide
PubChem CID119317869
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(2S)-2-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]propanamide
SMILESCc1cccc(COc2ccc(C(C)NC(=O)[C@H](C)N)cc2)c1
InChIInChI=1S/C19H24N2O2/c1-13-5-4-6-16(11-13)12-23-18-9-7-17(8-10-18)15(3)21-19(22)14(2)20/h4-11,14-15H,12,20H2,1-3H3,(H,21,22)/t14-,15?/m0/s1
InChIKeyTWMMJEXJCQZJAY-MLCCFXAWSA-N
XLogP3.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]butanamide
CID 119773812
(2S)-2-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide
CID 119317321
3-[methyl-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethylcarbamoyl]amino]propanoic acid
CID 122000527
N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119773817
(2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
CID 81361090
1-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122000526
[1-hydroxy-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-2-yl]azanium chloride
CID 110184490
(2R)-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]butanamide
CID 163564541
(2S)-2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]propanamide
CID 119311259
3-amino-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]butanamide
CID 119712227
(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
CID 61147129
N-[4-[(3-methylphenyl)methoxy]phenyl]acetamide
CID 8522252

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]propanamide (CID 119317869) is (2S)-2-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]propanamide is Cc1cccc(COc2ccc(C(C)NC(=O)[C@H](C)N)cc2)c1.
What is the InChIKey of (2S)-2-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]propanamide?
The InChIKey is TWMMJEXJCQZJAY-MLCCFXAWSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-5-4-6-16(11-13)12-23-18-9-7-17(8-10-18)15(3)21-19(22)14(2)20/h4-11,14-15H,12,20H2,1-3H3,(H,21,22)/t14-,15?/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]propanamide?
(2S)-2-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]propanamide has a molecular weight of 312.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]propanamide is sourced from PubChem (CID 119317869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).