(2S)-3-hydroxy-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide

C17H19N3O5 — CID 23625356

IUPAC(2S)-3-hydroxy-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide
SMILESNC(=O)[C@H](CO)NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H19N3O5/c18-17(22)16(10-21)19-9-12-3-7-15(8-4-12)25-11-13-1-5-14(6-2-13)20(23)24/h1-8,16,19,21H,9-11H2,(H2,18,22)/t16-/m0/s1
InChIKeyXVFXQICJBNSYEW-INIZCTEOSA-N
MW345.36 g/mol
LogP1.11
Rot. Bonds9

About (2S)-3-hydroxy-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide

(2S)-3-hydroxy-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide (PubChem CID 23625356) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide
PubChem CID23625356
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name(2S)-3-hydroxy-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide
SMILESNC(=O)[C@H](CO)NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H19N3O5/c18-17(22)16(10-21)19-9-12-3-7-15(8-4-12)25-11-13-1-5-14(6-2-13)20(23)24/h1-8,16,19,21H,9-11H2,(H2,18,22)/t16-/m0/s1
InChIKeyXVFXQICJBNSYEW-INIZCTEOSA-N
XLogP1.11
TPSA127.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.11
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'}

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Related Compounds

(S)-N2-[4-(benzyloxy)benzyl]serinamide
CID 10756633
(S)-N2-{4-[(3-fluorobenzyl)oxy]benzyl}serinamide
CID 23625355
N2-{4-[(4-nitrobenzyl)oxy]benzyl}glycinamide
CID 23625204
Bn-Pyr-Tyr(Bn(4-NO2))(Bn(4-NO2))-OH
CID 12042474
(R)-2-(carboxyformamido)-3-(4-(2-nitrobenzyloxy)phenyl)propanoic acid
CID 45376911
(2S)-3-hydroxy-N-methyl-2-[(4-phenylmethoxyphenyl)methylamino]propanamide
CID 10567259
(2R)-3-hydroxy-N-methyl-2-[(4-phenylmethoxyphenyl)methylamino]propanamide
CID 10852755
(2R,3S)-2-amino-3-hydroxy-N-(4-methoxybenzyl)-3-(4-nitrophenyl)propanamide
CID 44200816
(2R)-3-hydroxy-2-[(4-phenylmethoxyphenyl)methylamino]propanamide
CID 44369721
Carbamic acid, (1-((4-(2-(dimethylamino)ethoxy)phenyl)methyl)-2-(dipropylamino)-2-oxoethyl)-,(p-nitrobenzyl) ester, (S)-
CID 42234
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-(4-nitrophenyl)acetamide
CID 13030866
(2S)-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide
CID 23625206

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide?
The IUPAC name of (2S)-3-hydroxy-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide (CID 23625356) is (2S)-3-hydroxy-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide.
What is the SMILES notation for (2S)-3-hydroxy-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide?
The canonical SMILES for (2S)-3-hydroxy-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide is NC(=O)[C@H](CO)NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of (2S)-3-hydroxy-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide?
The InChIKey is XVFXQICJBNSYEW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19N3O5/c18-17(22)16(10-21)19-9-12-3-7-15(8-4-12)25-11-13-1-5-14(6-2-13)20(23)24/h1-8,16,19,21H,9-11H2,(H2,18,22)/t16-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide?
(2S)-3-hydroxy-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide has a molecular weight of 345.36 g/mol, XLogP of 1.11, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide is sourced from PubChem (CID 23625356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).