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

C17H19N3O5 — CID 74070896

IUPAC3-hydroxy-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide
SMILESNC(=O)C(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)
InChIKeyXVFXQICJBNSYEW-UHFFFAOYSA-N
MW345.36 g/mol
LogP1.11
Rot. Bonds9

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

3-hydroxy-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide (PubChem CID 74070896) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 3-hydroxy-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide.

Molecular Properties

Compound Name3-hydroxy-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide
PubChem CID74070896
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name3-hydroxy-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide
SMILESNC(=O)C(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)
InChIKeyXVFXQICJBNSYEW-UHFFFAOYSA-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

(2S)-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide
CID 23625206
4-[(4-nitrophenyl)methoxy]benzamide
CID 7893395
2-[(4-nitrophenyl)methylamino]propanamide
CID 43402378
N-[4-[(4-nitrophenyl)methoxy]phenyl]acetamide
CID 895335
methyl 4-[(4-nitrophenyl)methoxy]benzoate
CID 802052
methyl 3-amino-2-[(4-nitrophenyl)methylamino]propanoate
CID 114242268
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
1-methyl-4-[(4-nitrophenoxy)methyl]benzene
CID 824912
4-chloro-N-[[4-[(4-nitrophenyl)methoxy]phenyl]methyl]aniline
CID 126182001
(1S)-1-[4-[(4-nitrophenyl)methoxy]phenyl]propan-1-ol
CID 78933303
(4-nitrophenyl)methyl 4-[(4-bromophenoxy)methyl]benzoate
CID 126184969
4-[(4-nitrophenyl)methoxy]benzaldehyde
CID 735836

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide?
The IUPAC name of 3-hydroxy-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide (CID 74070896) is 3-hydroxy-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide.
What is the SMILES notation for 3-hydroxy-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide?
The canonical SMILES for 3-hydroxy-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide is NC(=O)C(CO)NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 3-hydroxy-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide?
The InChIKey is XVFXQICJBNSYEW-UHFFFAOYSA-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).
What are the key properties of 3-hydroxy-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide?
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 3-hydroxy-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide is sourced from PubChem (CID 74070896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).