N-cyclopropyl-4-methoxy-3-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide

C21H24N2O4 — CID 17495591

IUPACN-cyclopropyl-4-methoxy-3-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C21H24N2O4/c1-14(2)16-6-4-15(5-7-16)13-22(18-9-10-18)21(24)17-8-11-20(27-3)19(12-17)23(25)26/h4-8,11-12,14,18H,9-10,13H2,1-3H3
InChIKeyFFFSRBCHKSHADB-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.53
Rot. Bonds7

About N-cyclopropyl-4-methoxy-3-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide

N-cyclopropyl-4-methoxy-3-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide (PubChem CID 17495591) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-3-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methoxy-3-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide
PubChem CID17495591
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-cyclopropyl-4-methoxy-3-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C21H24N2O4/c1-14(2)16-6-4-15(5-7-16)13-22(18-9-10-18)21(24)17-8-11-20(27-3)19(12-17)23(25)26/h4-8,11-12,14,18H,9-10,13H2,1-3H3
InChIKeyFFFSRBCHKSHADB-UHFFFAOYSA-N
XLogP4.53
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.53
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-methoxy-3-nitrobenzamide
CID 25486643
N-cyclopropyl-4-ethoxy-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide
CID 9299408
N-cyclopropyl-3,4,5-trimethoxy-2-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 37007930
N-cyclopropyl-4-methoxy-3-nitro-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 24511102
N-benzyl-N-cyclopropyl-4-ethoxy-3-nitrobenzamide
CID 38270776
4-bromo-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide
CID 9298751
4-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-3-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 41019642
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-methyl-4-nitrobenzamide
CID 9298269
N-cyclopropyl-5-methoxy-N-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 9479276
4-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]sulfanyl-3-nitrobenzamide
CID 31784606
N-cyclopropyl-5-nitro-N-[(4-propan-2-ylphenyl)methyl]furan-2-carboxamide
CID 31784519
4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825588

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methoxy-3-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-methoxy-3-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide (CID 17495591) is N-cyclopropyl-4-methoxy-3-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methoxy-3-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methoxy-3-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide is COc1ccc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)cc1[N+](=O)[O-].
What is the InChIKey of N-cyclopropyl-4-methoxy-3-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide?
The InChIKey is FFFSRBCHKSHADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14(2)16-6-4-15(5-7-16)13-22(18-9-10-18)21(24)17-8-11-20(27-3)19(12-17)23(25)26/h4-8,11-12,14,18H,9-10,13H2,1-3H3.
What are the key properties of N-cyclopropyl-4-methoxy-3-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide?
N-cyclopropyl-4-methoxy-3-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide has a molecular weight of 368.43 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methoxy-3-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide is sourced from PubChem (CID 17495591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).