(2S)-2-amino-N-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-phenylpropanamide

C18H21N3O5 — CID 22805898

IUPAC(2S)-2-amino-N-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCC(O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H21N3O5/c19-17(10-13-4-2-1-3-5-13)18(23)20-11-15(22)12-26-16-8-6-14(7-9-16)21(24)25/h1-9,15,17,22H,10-12,19H2,(H,20,23)/t15?,17-/m0/s1
InChIKeyJAHABLKIJXKWPU-LWKPJOBUSA-N
MW359.38 g/mol
LogP1.02
Rot. Bonds9

About (2S)-2-amino-N-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-phenylpropanamide

(2S)-2-amino-N-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-phenylpropanamide (PubChem CID 22805898) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-phenylpropanamide
PubChem CID22805898
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name(2S)-2-amino-N-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCC(O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H21N3O5/c19-17(10-13-4-2-1-3-5-13)18(23)20-11-15(22)12-26-16-8-6-14(7-9-16)21(24)25/h1-9,15,17,22H,10-12,19H2,(H,20,23)/t15?,17-/m0/s1
InChIKeyJAHABLKIJXKWPU-LWKPJOBUSA-N
XLogP1.02
TPSA127.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-2-amino-N-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-phenylpropanamide 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

1-(benzylamino)-3-(4-nitrophenoxy)propan-2-ol
CID 42614705
fluoro 2,2,2-trifluoroacetate;[2-hydroxy-3-(4-nitrophenoxy)propyl] (2S)-2-amino-3-phenylpropanoate
CID 70629669
1-(4-nitrophenoxy)-3-phenoxypropan-2-ol
CID 10493641
1-anilino-3-(4-nitrophenoxy)propan-2-ol
CID 2883975
(4-nitrophenyl) (2S)-2-amino-3-phenylpropanoate
CID 10924141
(2S)-2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide;hydrochloride
CID 119304969
N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-nitrobenzamide
CID 889930
(2-hydroxy-3-phenylpropyl) 4-nitrobenzoate
CID 135006261
(2R)-1-amino-3-(4-nitrophenoxy)propan-2-ol
CID 30078485
(2R)-2-amino-N-(2-aminoethyl)-3-(4-nitrophenyl)propanamide
CID 129361681
(2R)-2-amino-N-(2-hydroxypentyl)-3-phenylpropanamide
CID 103796801
(2S)-2-amino-N-[(2S,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)propyl]-3-(4-hydroxyphenyl)propanamide
CID 56682178

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-phenylpropanamide (CID 22805898) is (2S)-2-amino-N-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)NCC(O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2S)-2-amino-N-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-phenylpropanamide?
The InChIKey is JAHABLKIJXKWPU-LWKPJOBUSA-N. The full InChI is InChI=1S/C18H21N3O5/c19-17(10-13-4-2-1-3-5-13)18(23)20-11-15(22)12-26-16-8-6-14(7-9-16)21(24)25/h1-9,15,17,22H,10-12,19H2,(H,20,23)/t15?,17-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-phenylpropanamide?
(2S)-2-amino-N-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-phenylpropanamide has a molecular weight of 359.38 g/mol, XLogP of 1.02, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-phenylpropanamide is sourced from PubChem (CID 22805898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).