N-(cyclopropylmethyl)-N-methyl-2-nitro-5-(propylamino)benzamide

C15H21N3O3 — CID 62180251

IUPACN-(cyclopropylmethyl)-N-methyl-2-nitro-5-(propylamino)benzamide
SMILESCCCNc1ccc([N+](=O)[O-])c(C(=O)N(C)CC2CC2)c1
InChIInChI=1S/C15H21N3O3/c1-3-8-16-12-6-7-14(18(20)21)13(9-12)15(19)17(2)10-11-4-5-11/h6-7,9,11,16H,3-5,8,10H2,1-2H3
InChIKeyFEPNVJCKCQDPET-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.90
Rot. Bonds7

About N-(cyclopropylmethyl)-N-methyl-2-nitro-5-(propylamino)benzamide

N-(cyclopropylmethyl)-N-methyl-2-nitro-5-(propylamino)benzamide (PubChem CID 62180251) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-methyl-2-nitro-5-(propylamino)benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-methyl-2-nitro-5-(propylamino)benzamide
PubChem CID62180251
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(cyclopropylmethyl)-N-methyl-2-nitro-5-(propylamino)benzamide
SMILESCCCNc1ccc([N+](=O)[O-])c(C(=O)N(C)CC2CC2)c1
InChIInChI=1S/C15H21N3O3/c1-3-8-16-12-6-7-14(18(20)21)13(9-12)15(19)17(2)10-11-4-5-11/h6-7,9,11,16H,3-5,8,10H2,1-2H3
InChIKeyFEPNVJCKCQDPET-UHFFFAOYSA-N
XLogP2.90
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.90
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-(cyclopentylmethyl)-5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 63655560
5-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide
CID 63863167
N-(cyclopropylmethyl)-N-ethyl-5-(methylamino)-2-nitrobenzamide
CID 63939145
N-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzamide
CID 62169978
N-(2-methylcyclopropyl)-2-nitro-5-(propylamino)benzamide
CID 62408663
5-(ethylamino)-N-methyl-2-nitro-N-propan-2-ylbenzamide
CID 62167053
N-(2-cyanopropyl)-5-(ethylamino)-N-methyl-2-nitrobenzamide
CID 62180143
N-ethyl-5-(ethylamino)-2-nitro-N-propylbenzamide
CID 62169452
N-(cyclopropylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide
CID 63954339
N-(cyclopropylmethyl)-N,5-dimethyl-2-(propylamino)benzamide
CID 62509873
N-[2-(dimethylamino)ethyl]-5-(ethylamino)-2-nitrobenzamide
CID 62171493
5-[(4-methylcyclohexyl)methylamino]-2-nitrobenzoic acid
CID 63244434

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-methyl-2-nitro-5-(propylamino)benzamide?
The IUPAC name of N-(cyclopropylmethyl)-N-methyl-2-nitro-5-(propylamino)benzamide (CID 62180251) is N-(cyclopropylmethyl)-N-methyl-2-nitro-5-(propylamino)benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-methyl-2-nitro-5-(propylamino)benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-methyl-2-nitro-5-(propylamino)benzamide is CCCNc1ccc([N+](=O)[O-])c(C(=O)N(C)CC2CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-N-methyl-2-nitro-5-(propylamino)benzamide?
The InChIKey is FEPNVJCKCQDPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-8-16-12-6-7-14(18(20)21)13(9-12)15(19)17(2)10-11-4-5-11/h6-7,9,11,16H,3-5,8,10H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-methyl-2-nitro-5-(propylamino)benzamide?
N-(cyclopropylmethyl)-N-methyl-2-nitro-5-(propylamino)benzamide has a molecular weight of 291.35 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-methyl-2-nitro-5-(propylamino)benzamide is sourced from PubChem (CID 62180251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).