(3-nitro-4-propylphenyl)carbamic acid

C10H12N2O4 — CID 67247767

IUPAC(3-nitro-4-propylphenyl)carbamic acid
SMILESCCCc1ccc(NC(=O)O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O4/c1-2-3-7-4-5-8(11-10(13)14)6-9(7)12(15)16/h4-6,11H,2-3H2,1H3,(H,13,14)
InChIKeyFZYLFMAKCKNQRT-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.64
Rot. Bonds4

About (3-nitro-4-propylphenyl)carbamic acid

(3-nitro-4-propylphenyl)carbamic acid (PubChem CID 67247767) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is (3-nitro-4-propylphenyl)carbamic acid.

Molecular Properties

Compound Name(3-nitro-4-propylphenyl)carbamic acid
PubChem CID67247767
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name(3-nitro-4-propylphenyl)carbamic acid
SMILESCCCc1ccc(NC(=O)O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O4/c1-2-3-7-4-5-8(11-10(13)14)6-9(7)12(15)16/h4-6,11H,2-3H2,1H3,(H,13,14)
InChIKeyFZYLFMAKCKNQRT-UHFFFAOYSA-N
XLogP2.64
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-butyl-3-nitrophenyl)acetamide
CID 71393805
4-(4-ethyl-3-nitroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992988
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
N-(4-ethyl-3-nitrophenyl)-4-hydroxybutanamide
CID 79204865
2-amino-N-(4-ethyl-3-nitrophenyl)butanamide
CID 43713228
2-(4-ethyl-3-nitroanilino)propanoic acid
CID 66172517
N-(4-ethyl-3-nitrophenyl)cyclopentanecarboxamide
CID 34655093
N-(4-ethyl-3-nitrophenyl)-5-hydroxypentanamide
CID 79199585
N-(4-ethyl-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide
CID 79196522
4-bromo-N-(4-ethyl-3-nitrophenyl)benzamide
CID 60739029
2-amino-N-(4-ethyl-3-nitrophenyl)hexanamide
CID 60854572
[4-(2-aminoacetyl)-3-nitrophenyl]carbamic acid
CID 129080463

Frequently Asked Questions

What is the IUPAC name of (3-nitro-4-propylphenyl)carbamic acid?
The IUPAC name of (3-nitro-4-propylphenyl)carbamic acid (CID 67247767) is (3-nitro-4-propylphenyl)carbamic acid.
What is the SMILES notation for (3-nitro-4-propylphenyl)carbamic acid?
The canonical SMILES for (3-nitro-4-propylphenyl)carbamic acid is CCCc1ccc(NC(=O)O)cc1[N+](=O)[O-].
What is the InChIKey of (3-nitro-4-propylphenyl)carbamic acid?
The InChIKey is FZYLFMAKCKNQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-2-3-7-4-5-8(11-10(13)14)6-9(7)12(15)16/h4-6,11H,2-3H2,1H3,(H,13,14).
What are the key properties of (3-nitro-4-propylphenyl)carbamic acid?
(3-nitro-4-propylphenyl)carbamic acid has a molecular weight of 224.22 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-nitro-4-propylphenyl)carbamic acid is sourced from PubChem (CID 67247767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).