4-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pentanamide

C13H18N2O4 — CID 79200307

IUPAC4-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pentanamide
SMILESCC(O)CCC(=O)N(C)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O4/c1-10(16)7-8-13(17)14(2)9-11-5-3-4-6-12(11)15(18)19/h3-6,10,16H,7-9H2,1-2H3
InChIKeyIEPWFRFNSIFMQW-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.71
Rot. Bonds6

About 4-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pentanamide

4-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pentanamide (PubChem CID 79200307) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pentanamide
PubChem CID79200307
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pentanamide
SMILESCC(O)CCC(=O)N(C)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O4/c1-10(16)7-8-13(17)14(2)9-11-5-3-4-6-12(11)15(18)19/h3-6,10,16H,7-9H2,1-2H3
InChIKeyIEPWFRFNSIFMQW-UHFFFAOYSA-N
XLogP1.71
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-methyl-N-[(2-nitrophenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60945755
N-methyl-N-[(2-nitrophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide
CID 112832707
N-methyl-N-[(2-nitrophenyl)methyl]-2-propan-2-yloxyacetamide
CID 112686813
4-amino-N,2-dimethyl-N-[(2-nitrophenyl)methyl]butanamide
CID 80542921
2-[2-[methyl-[(2-nitrophenyl)methyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 115586778
N-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide
CID 46413108
4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(2-nitrophenyl)methyl]butanamide
CID 66679326
N-methyl-N-(2-methylpropyl)-2-(2-nitrophenyl)acetamide
CID 134058659
2-amino-N,3-dimethyl-N-[(2-nitrophenyl)methyl]pentanamide
CID 60945232
N-methyl-N-[(2-nitrophenyl)methyl]but-2-enamide
CID 112726699
2-(1-aminocyclobutyl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide
CID 75424637
2-(azetidin-3-yl)-N-methyl-N-[(2-nitrophenyl)methyl]propanamide
CID 116676410

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pentanamide?
The IUPAC name of 4-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pentanamide (CID 79200307) is 4-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pentanamide.
What is the SMILES notation for 4-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pentanamide?
The canonical SMILES for 4-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pentanamide is CC(O)CCC(=O)N(C)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 4-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pentanamide?
The InChIKey is IEPWFRFNSIFMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-10(16)7-8-13(17)14(2)9-11-5-3-4-6-12(11)15(18)19/h3-6,10,16H,7-9H2,1-2H3.
What are the key properties of 4-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pentanamide?
4-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pentanamide has a molecular weight of 266.30 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pentanamide is sourced from PubChem (CID 79200307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).