(2S)-2-amino-N-[2-(3-methoxyphenoxy)propyl]-3-phenylpropanamide

C19H24N2O3 — CID 119335528

IUPAC(2S)-2-amino-N-[2-(3-methoxyphenoxy)propyl]-3-phenylpropanamide
SMILESCOc1cccc(OC(C)CNC(=O)[C@@H](N)Cc2ccccc2)c1
InChIInChI=1S/C19H24N2O3/c1-14(24-17-10-6-9-16(12-17)23-2)13-21-19(22)18(20)11-15-7-4-3-5-8-15/h3-10,12,14,18H,11,13,20H2,1-2H3,(H,21,22)/t14?,18-/m0/s1
InChIKeyQYLYSDOUAUBVQU-IBYPIGCZSA-N
MW328.41 g/mol
LogP2.15
Rot. Bonds8

About (2S)-2-amino-N-[2-(3-methoxyphenoxy)propyl]-3-phenylpropanamide

(2S)-2-amino-N-[2-(3-methoxyphenoxy)propyl]-3-phenylpropanamide (PubChem CID 119335528) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(3-methoxyphenoxy)propyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(3-methoxyphenoxy)propyl]-3-phenylpropanamide
PubChem CID119335528
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(2S)-2-amino-N-[2-(3-methoxyphenoxy)propyl]-3-phenylpropanamide
SMILESCOc1cccc(OC(C)CNC(=O)[C@@H](N)Cc2ccccc2)c1
InChIInChI=1S/C19H24N2O3/c1-14(24-17-10-6-9-16(12-17)23-2)13-21-19(22)18(20)11-15-7-4-3-5-8-15/h3-10,12,14,18H,11,13,20H2,1-2H3,(H,21,22)/t14?,18-/m0/s1
InChIKeyQYLYSDOUAUBVQU-IBYPIGCZSA-N
XLogP2.15
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119290472
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119336981
(2S)-2-amino-N-[2-(2-methylphenoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119335772
(2S)-2-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide
CID 119335617
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 22691311
2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 43500101
(2R)-2-amino-N-(3-methoxy-2-methylpropyl)-3-phenylpropanamide
CID 78985598
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide
CID 78996657
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 22691240
2-[2-(3-methoxyphenoxy)propanoylamino]-3-phenylpropanoic acid
CID 53264150
(3-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 61280030
2-amino-N-[2-(4-methoxyphenoxy)propyl]-2-phenylacetamide;hydrochloride
CID 119290481

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(3-methoxyphenoxy)propyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[2-(3-methoxyphenoxy)propyl]-3-phenylpropanamide (CID 119335528) is (2S)-2-amino-N-[2-(3-methoxyphenoxy)propyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(3-methoxyphenoxy)propyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(3-methoxyphenoxy)propyl]-3-phenylpropanamide is COc1cccc(OC(C)CNC(=O)[C@@H](N)Cc2ccccc2)c1.
What is the InChIKey of (2S)-2-amino-N-[2-(3-methoxyphenoxy)propyl]-3-phenylpropanamide?
The InChIKey is QYLYSDOUAUBVQU-IBYPIGCZSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14(24-17-10-6-9-16(12-17)23-2)13-21-19(22)18(20)11-15-7-4-3-5-8-15/h3-10,12,14,18H,11,13,20H2,1-2H3,(H,21,22)/t14?,18-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(3-methoxyphenoxy)propyl]-3-phenylpropanamide?
(2S)-2-amino-N-[2-(3-methoxyphenoxy)propyl]-3-phenylpropanamide has a molecular weight of 328.41 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(3-methoxyphenoxy)propyl]-3-phenylpropanamide is sourced from PubChem (CID 119335528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).