(2S)-2-[(3-phenylmethoxyphenyl)methylamino]propanamide

C17H20N2O2 — CID 10708191

IUPAC(2S)-2-[(3-phenylmethoxyphenyl)methylamino]propanamide
SMILESC[C@H](NCc1cccc(OCc2ccccc2)c1)C(N)=O
InChIInChI=1S/C17H20N2O2/c1-13(17(18)20)19-11-15-8-5-9-16(10-15)21-12-14-6-3-2-4-7-14/h2-10,13,19H,11-12H2,1H3,(H2,18,20)/t13-/m0/s1
InChIKeyJHQRDMZNCRDZIN-ZDUSSCGKSA-N
MW284.36 g/mol
LogP2.23
Rot. Bonds7

About (2S)-2-[(3-phenylmethoxyphenyl)methylamino]propanamide

(2S)-2-[(3-phenylmethoxyphenyl)methylamino]propanamide (PubChem CID 10708191) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2S)-2-[(3-phenylmethoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound Name(2S)-2-[(3-phenylmethoxyphenyl)methylamino]propanamide
PubChem CID10708191
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(2S)-2-[(3-phenylmethoxyphenyl)methylamino]propanamide
SMILESC[C@H](NCc1cccc(OCc2ccccc2)c1)C(N)=O
InChIInChI=1S/C17H20N2O2/c1-13(17(18)20)19-11-15-8-5-9-16(10-15)21-12-14-6-3-2-4-7-14/h2-10,13,19H,11-12H2,1H3,(H2,18,20)/t13-/m0/s1
InChIKeyJHQRDMZNCRDZIN-ZDUSSCGKSA-N
XLogP2.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(3-phenylmethoxyphenyl)methylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(3-phenylmethoxyphenyl)methylamino]propanoic acid
CID 95003342
3-methyl-2-[(3-phenylmethoxyphenyl)methylamino]butanoic acid
CID 66527226
(2R)-2-[[3-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoic acid
CID 95003579
2-[(3-phenylmethoxyphenyl)methylamino]pentanoic acid
CID 120509588
2-[(3-ethoxyphenyl)methylamino]propanoic acid
CID 61499824
methyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
CID 54959179
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;methanesulfonic acid
CID 3038502
(2S)-2-[[4-(1H-indol-5-yloxymethyl)phenyl]methylamino]propanamide
CID 157124408
benzyl (2S)-2-(benzylamino)propanoate
CID 15488196
(3-phenylmethoxyphenyl) (2S)-2-aminopropanoate
CID 67767154
4-[(3-phenylmethoxyphenyl)methylamino]butan-2-ol
CID 111336616
(2S)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 29186893

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-phenylmethoxyphenyl)methylamino]propanamide?
The IUPAC name of (2S)-2-[(3-phenylmethoxyphenyl)methylamino]propanamide (CID 10708191) is (2S)-2-[(3-phenylmethoxyphenyl)methylamino]propanamide.
What is the SMILES notation for (2S)-2-[(3-phenylmethoxyphenyl)methylamino]propanamide?
The canonical SMILES for (2S)-2-[(3-phenylmethoxyphenyl)methylamino]propanamide is C[C@H](NCc1cccc(OCc2ccccc2)c1)C(N)=O.
What is the InChIKey of (2S)-2-[(3-phenylmethoxyphenyl)methylamino]propanamide?
The InChIKey is JHQRDMZNCRDZIN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13(17(18)20)19-11-15-8-5-9-16(10-15)21-12-14-6-3-2-4-7-14/h2-10,13,19H,11-12H2,1H3,(H2,18,20)/t13-/m0/s1.
What are the key properties of (2S)-2-[(3-phenylmethoxyphenyl)methylamino]propanamide?
(2S)-2-[(3-phenylmethoxyphenyl)methylamino]propanamide has a molecular weight of 284.36 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-phenylmethoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 10708191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).