2-amino-N-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]acetamide

C16H17N3O5 — CID 147767341

IUPAC2-amino-N-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]acetamide
SMILESNCC(=O)Nc1cc(CO)ccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H17N3O5/c17-8-16(21)18-14-7-12(9-20)3-6-15(14)24-10-11-1-4-13(5-2-11)19(22)23/h1-7,20H,8-10,17H2,(H,18,21)
InChIKeyHFGAPBPRRCZZLN-UHFFFAOYSA-N
MW331.33 g/mol
LogP1.56
Rot. Bonds7

About 2-amino-N-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]acetamide

2-amino-N-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]acetamide (PubChem CID 147767341) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is 2-amino-N-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]acetamide
PubChem CID147767341
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name2-amino-N-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]acetamide
SMILESNCC(=O)Nc1cc(CO)ccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H17N3O5/c17-8-16(21)18-14-7-12(9-20)3-6-15(14)24-10-11-1-4-13(5-2-11)19(22)23/h1-7,20H,8-10,17H2,(H,18,21)
InChIKeyHFGAPBPRRCZZLN-UHFFFAOYSA-N
XLogP1.56
TPSA127.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.56
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

N2-{4-[(4-nitrobenzyl)oxy]benzyl}glycinamide
CID 23625204
(S)-N2-{4-[(4-nitrobenzyl)oxy]benzyl}serinamide
CID 23625356
N-(4-methyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 4879469
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 4879284
(2R)-3-hydroxy-N-methyl-2-[[4-[(3-nitrophenyl)methoxy]phenyl]methylamino]propanamide
CID 44369729
N-(2-methoxy-5-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 731541
2,2,2-trifluoro-N-[1-hydroxy-1-(3-nitro-4-phenylmethoxyphenyl)propan-2-yl]acetamide
CID 23134160
N-[(1S,2R)-2-(4-Benzyloxy-3-nitrophenyl)-2-hydroxy-1-methylethyl]-2,2,2-trifluoroacetamide
CID 86611766
2,2,2-trifluoro-N-[(1S,2S)-1-hydroxy-1-(3-nitro-4-phenylmethoxyphenyl)propan-2-yl]acetamide
CID 87732608
N-(2-ethoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide
CID 7551295
N-(4-fluorophenyl)-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide
CID 8563385
N-(4-methyl-2-nitrophenyl)-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 41737955

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]acetamide?
The IUPAC name of 2-amino-N-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]acetamide (CID 147767341) is 2-amino-N-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]acetamide?
The canonical SMILES for 2-amino-N-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]acetamide is NCC(=O)Nc1cc(CO)ccc1OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-amino-N-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]acetamide?
The InChIKey is HFGAPBPRRCZZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c17-8-16(21)18-14-7-12(9-20)3-6-15(14)24-10-11-1-4-13(5-2-11)19(22)23/h1-7,20H,8-10,17H2,(H,18,21).
What are the key properties of 2-amino-N-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]acetamide?
2-amino-N-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]acetamide has a molecular weight of 331.33 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]acetamide is sourced from PubChem (CID 147767341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).