(2S)-2-amino-N-(3-phenoxypropyl)-3-(4-phenylmethoxyphenyl)propanamide

C25H28N2O3 — CID 131720927

IUPAC(2S)-2-amino-N-(3-phenoxypropyl)-3-(4-phenylmethoxyphenyl)propanamide
SMILESN[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCCCOc1ccccc1
InChIInChI=1S/C25H28N2O3/c26-24(25(28)27-16-7-17-29-22-10-5-2-6-11-22)18-20-12-14-23(15-13-20)30-19-21-8-3-1-4-9-21/h1-6,8-15,24H,7,16-19,26H2,(H,27,28)/t24-/m0/s1
InChIKeyPYVQVXPOBCXHRH-DEOSSOPVSA-N
MW404.51 g/mol
LogP3.72
Rot. Bonds11

About (2S)-2-amino-N-(3-phenoxypropyl)-3-(4-phenylmethoxyphenyl)propanamide

(2S)-2-amino-N-(3-phenoxypropyl)-3-(4-phenylmethoxyphenyl)propanamide (PubChem CID 131720927) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-phenoxypropyl)-3-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-phenoxypropyl)-3-(4-phenylmethoxyphenyl)propanamide
PubChem CID131720927
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name(2S)-2-amino-N-(3-phenoxypropyl)-3-(4-phenylmethoxyphenyl)propanamide
SMILESN[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCCCOc1ccccc1
InChIInChI=1S/C25H28N2O3/c26-24(25(28)27-16-7-17-29-22-10-5-2-6-11-22)18-20-12-14-23(15-13-20)30-19-21-8-3-1-4-9-21/h1-6,8-15,24H,7,16-19,26H2,(H,27,28)/t24-/m0/s1
InChIKeyPYVQVXPOBCXHRH-DEOSSOPVSA-N
XLogP3.72
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-(2-phenoxyethyl)-3-phenylpropanamide
CID 78984684
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328
(2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide
CID 106310662
2-amino-3-phenyl-N-(3-propoxypropyl)propanamide
CID 82942033
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-naphthalen-2-yloxybutyl)propanamide
CID 91386192
8-(4-phenylmethoxyphenoxy)octyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 16720426
2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one
CID 19381349
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256
(2S)-2-amino-N-[2,3-di(tetradecoxy)propyl]-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride
CID 134231569
(2R)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide
CID 103796033
2-amino-3-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120985987
(2S)-2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one;hydrochloride
CID 67808775

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-phenoxypropyl)-3-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(3-phenoxypropyl)-3-(4-phenylmethoxyphenyl)propanamide (CID 131720927) is (2S)-2-amino-N-(3-phenoxypropyl)-3-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-phenoxypropyl)-3-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(3-phenoxypropyl)-3-(4-phenylmethoxyphenyl)propanamide is N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCCCOc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(3-phenoxypropyl)-3-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is PYVQVXPOBCXHRH-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H28N2O3/c26-24(25(28)27-16-7-17-29-22-10-5-2-6-11-22)18-20-12-14-23(15-13-20)30-19-21-8-3-1-4-9-21/h1-6,8-15,24H,7,16-19,26H2,(H,27,28)/t24-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-phenoxypropyl)-3-(4-phenylmethoxyphenyl)propanamide?
(2S)-2-amino-N-(3-phenoxypropyl)-3-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 404.51 g/mol, XLogP of 3.72, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-phenoxypropyl)-3-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 131720927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).