N-benzyl-N-cyclopropyl-4-methoxy-3-nitrobenzamide

C18H18N2O4 — CID 25486643

IUPACN-benzyl-N-cyclopropyl-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)N(Cc2ccccc2)C2CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H18N2O4/c1-24-17-10-7-14(11-16(17)20(22)23)18(21)19(15-8-9-15)12-13-5-3-2-4-6-13/h2-7,10-11,15H,8-9,12H2,1H3
InChIKeyCTPCCWULMVVORZ-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.41
Rot. Bonds6

About N-benzyl-N-cyclopropyl-4-methoxy-3-nitrobenzamide

N-benzyl-N-cyclopropyl-4-methoxy-3-nitrobenzamide (PubChem CID 25486643) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-4-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-4-methoxy-3-nitrobenzamide
PubChem CID25486643
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-benzyl-N-cyclopropyl-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)N(Cc2ccccc2)C2CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H18N2O4/c1-24-17-10-7-14(11-16(17)20(22)23)18(21)19(15-8-9-15)12-13-5-3-2-4-6-13/h2-7,10-11,15H,8-9,12H2,1H3
InChIKeyCTPCCWULMVVORZ-UHFFFAOYSA-N
XLogP3.41
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
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-benzyl-N-cyclopropyl-4-ethoxy-3-nitrobenzamide
CID 38270776
N-cyclopropyl-4-methoxy-3-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 17495591
N-cyclopropyl-4-ethoxy-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide
CID 9299408
4-bromo-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide
CID 9298751
4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide
CID 38252727
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-methyl-4-nitrobenzamide
CID 9298269
N-benzyl-N-(furan-2-ylmethyl)-4-methoxy-3-nitrobenzamide
CID 34907145
4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825588
N-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide
CID 55583180
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-nitrobenzamide
CID 9298236
1,2-bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione
CID 3126152
N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-methoxy-3-nitrobenzamide
CID 60576427

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-4-methoxy-3-nitrobenzamide?
The IUPAC name of N-benzyl-N-cyclopropyl-4-methoxy-3-nitrobenzamide (CID 25486643) is N-benzyl-N-cyclopropyl-4-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-4-methoxy-3-nitrobenzamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-4-methoxy-3-nitrobenzamide is COc1ccc(C(=O)N(Cc2ccccc2)C2CC2)cc1[N+](=O)[O-].
What is the InChIKey of N-benzyl-N-cyclopropyl-4-methoxy-3-nitrobenzamide?
The InChIKey is CTPCCWULMVVORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-24-17-10-7-14(11-16(17)20(22)23)18(21)19(15-8-9-15)12-13-5-3-2-4-6-13/h2-7,10-11,15H,8-9,12H2,1H3.
What are the key properties of N-benzyl-N-cyclopropyl-4-methoxy-3-nitrobenzamide?
N-benzyl-N-cyclopropyl-4-methoxy-3-nitrobenzamide has a molecular weight of 326.35 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-4-methoxy-3-nitrobenzamide is sourced from PubChem (CID 25486643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).