2-hydroxy-N-[3-[[(1R)-1-(2-nitrophenyl)ethyl]amino]phenyl]acetamide

C16H17N3O4 — CID 97218877

IUPAC2-hydroxy-N-[3-[[(1R)-1-(2-nitrophenyl)ethyl]amino]phenyl]acetamide
SMILESC[C@@H](Nc1cccc(NC(=O)CO)c1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H17N3O4/c1-11(14-7-2-3-8-15(14)19(22)23)17-12-5-4-6-13(9-12)18-16(21)10-20/h2-9,11,17,20H,10H2,1H3,(H,18,21)/t11-/m1/s1
InChIKeyZEFYQYPVRQQMPE-LLVKDONJSA-N
MW315.33 g/mol
LogP2.70
Rot. Bonds6

About 2-hydroxy-N-[3-[[(1R)-1-(2-nitrophenyl)ethyl]amino]phenyl]acetamide

2-hydroxy-N-[3-[[(1R)-1-(2-nitrophenyl)ethyl]amino]phenyl]acetamide (PubChem CID 97218877) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-hydroxy-N-[3-[[(1R)-1-(2-nitrophenyl)ethyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[3-[[(1R)-1-(2-nitrophenyl)ethyl]amino]phenyl]acetamide
PubChem CID97218877
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name2-hydroxy-N-[3-[[(1R)-1-(2-nitrophenyl)ethyl]amino]phenyl]acetamide
SMILESC[C@@H](Nc1cccc(NC(=O)CO)c1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H17N3O4/c1-11(14-7-2-3-8-15(14)19(22)23)17-12-5-4-6-13(9-12)18-16(21)10-20/h2-9,11,17,20H,10H2,1H3,(H,18,21)/t11-/m1/s1
InChIKeyZEFYQYPVRQQMPE-LLVKDONJSA-N
XLogP2.70
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3-N,3-N-dimethyl-1-N-[1-(2-nitrophenyl)ethyl]benzene-1,3-diamine
CID 115376017
N-[3-[1-(2,5-difluorophenyl)ethylamino]phenyl]-2-hydroxyacetamide
CID 111121722
1-ethyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-4-amine
CID 43543284
N-[3-[1-(2-methylphenyl)ethylamino]phenyl]acetamide
CID 43193741
2-[1-(2-nitrophenyl)ethylamino]benzoic acid
CID 43139514
2-methyl-3-[1-(2-nitrophenyl)ethylamino]propan-1-ol
CID 65031967
N-ethyl-2-[1-(2-nitrophenyl)ethylamino]acetamide
CID 43566906
(2S)-1-[1-(2-nitrophenyl)ethylamino]propan-2-ol
CID 103906316
N-[1-(2-nitrophenyl)ethyl]propan-2-amine
CID 43147503
N-[3-[1-(2-methoxyphenyl)ethylamino]phenyl]acetamide
CID 43193717
2-hydroxy-N-[3-[[(4-methylphenyl)-phenylmethyl]amino]phenyl]acetamide
CID 110011552
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[3-[[(1R)-1-(2-nitrophenyl)ethyl]amino]phenyl]acetamide?
The IUPAC name of 2-hydroxy-N-[3-[[(1R)-1-(2-nitrophenyl)ethyl]amino]phenyl]acetamide (CID 97218877) is 2-hydroxy-N-[3-[[(1R)-1-(2-nitrophenyl)ethyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[3-[[(1R)-1-(2-nitrophenyl)ethyl]amino]phenyl]acetamide?
The canonical SMILES for 2-hydroxy-N-[3-[[(1R)-1-(2-nitrophenyl)ethyl]amino]phenyl]acetamide is C[C@@H](Nc1cccc(NC(=O)CO)c1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-hydroxy-N-[3-[[(1R)-1-(2-nitrophenyl)ethyl]amino]phenyl]acetamide?
The InChIKey is ZEFYQYPVRQQMPE-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-11(14-7-2-3-8-15(14)19(22)23)17-12-5-4-6-13(9-12)18-16(21)10-20/h2-9,11,17,20H,10H2,1H3,(H,18,21)/t11-/m1/s1.
What are the key properties of 2-hydroxy-N-[3-[[(1R)-1-(2-nitrophenyl)ethyl]amino]phenyl]acetamide?
2-hydroxy-N-[3-[[(1R)-1-(2-nitrophenyl)ethyl]amino]phenyl]acetamide has a molecular weight of 315.33 g/mol, XLogP of 2.70, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[3-[[(1R)-1-(2-nitrophenyl)ethyl]amino]phenyl]acetamide is sourced from PubChem (CID 97218877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).