(2R)-2-acetamido-N-(3-hydroxypropyl)-3-(4-nitrophenyl)propanamide

C14H19N3O5 — CID 88742419

IUPAC(2R)-2-acetamido-N-(3-hydroxypropyl)-3-(4-nitrophenyl)propanamide
SMILESCC(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCO
InChIInChI=1S/C14H19N3O5/c1-10(19)16-13(14(20)15-7-2-8-18)9-11-3-5-12(6-4-11)17(21)22/h3-6,13,18H,2,7-9H2,1H3,(H,15,20)(H,16,19)/t13-/m1/s1
InChIKeyNLICMZMOPVWHBB-CYBMUJFWSA-N
MW309.32 g/mol
LogP0.14
Rot. Bonds8

About (2R)-2-acetamido-N-(3-hydroxypropyl)-3-(4-nitrophenyl)propanamide

(2R)-2-acetamido-N-(3-hydroxypropyl)-3-(4-nitrophenyl)propanamide (PubChem CID 88742419) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is (2R)-2-acetamido-N-(3-hydroxypropyl)-3-(4-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-(3-hydroxypropyl)-3-(4-nitrophenyl)propanamide
PubChem CID88742419
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name(2R)-2-acetamido-N-(3-hydroxypropyl)-3-(4-nitrophenyl)propanamide
SMILESCC(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCO
InChIInChI=1S/C14H19N3O5/c1-10(19)16-13(14(20)15-7-2-8-18)9-11-3-5-12(6-4-11)17(21)22/h3-6,13,18H,2,7-9H2,1H3,(H,15,20)(H,16,19)/t13-/m1/s1
InChIKeyNLICMZMOPVWHBB-CYBMUJFWSA-N
XLogP0.14
TPSA121.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-acetamido-3-hydroxy-N-[(4-nitrophenyl)methyl]propanamide
CID 11822044
methyl 2-[[(2S)-2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-2-methylpropanoate
CID 102347201
2-acetamido-N-[(4-nitrophenyl)methyl]-3-sulfanylpropanamide
CID 107769158
(2R)-2-amino-N-(2-aminoethyl)-3-(4-nitrophenyl)propanamide
CID 129361681
[5-acetamido-6-(4-nitroanilino)-6-oxohexyl]carbamic acid
CID 154945026
N-[3-(4-nitrophenyl)propyl]acetamide
CID 58774168
methane;methyl (2R)-2-acetamido-3-[4-(hydroxyamino)phenyl]propanoate;methyl (2R)-2-acetamido-3-(4-nitrophenyl)propanoate
CID 159022172
(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-hydroxypropyl)propanamide
CID 56670126
(2S)-2-acetamido-N-(4-aminobutyl)-3-phenylpropanamide
CID 156899646
(2S)-2-acetamido-N-hexadecyl-3-phenylpropanamide
CID 101010140
2-(hydroxyamino)-3-(4-nitrophenyl)propanoic acid
CID 87126063
methyl (2S)-2-[[(2R)-2-amino-3-(4-nitrophenyl)propanoyl]amino]-3-(4-nitrophenyl)propanoate
CID 131733471

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-(3-hydroxypropyl)-3-(4-nitrophenyl)propanamide?
The IUPAC name of (2R)-2-acetamido-N-(3-hydroxypropyl)-3-(4-nitrophenyl)propanamide (CID 88742419) is (2R)-2-acetamido-N-(3-hydroxypropyl)-3-(4-nitrophenyl)propanamide.
What is the SMILES notation for (2R)-2-acetamido-N-(3-hydroxypropyl)-3-(4-nitrophenyl)propanamide?
The canonical SMILES for (2R)-2-acetamido-N-(3-hydroxypropyl)-3-(4-nitrophenyl)propanamide is CC(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCO.
What is the InChIKey of (2R)-2-acetamido-N-(3-hydroxypropyl)-3-(4-nitrophenyl)propanamide?
The InChIKey is NLICMZMOPVWHBB-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19N3O5/c1-10(19)16-13(14(20)15-7-2-8-18)9-11-3-5-12(6-4-11)17(21)22/h3-6,13,18H,2,7-9H2,1H3,(H,15,20)(H,16,19)/t13-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-(3-hydroxypropyl)-3-(4-nitrophenyl)propanamide?
(2R)-2-acetamido-N-(3-hydroxypropyl)-3-(4-nitrophenyl)propanamide has a molecular weight of 309.32 g/mol, XLogP of 0.14, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-(3-hydroxypropyl)-3-(4-nitrophenyl)propanamide is sourced from PubChem (CID 88742419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).