N-(cyclopropylmethyl)-3-(methylamino)-4-nitro-N-propylbenzamide

C15H21N3O3 — CID 62682299

IUPACN-(cyclopropylmethyl)-3-(methylamino)-4-nitro-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1ccc([N+](=O)[O-])c(NC)c1
InChIInChI=1S/C15H21N3O3/c1-3-8-17(10-11-4-5-11)15(19)12-6-7-14(18(20)21)13(9-12)16-2/h6-7,9,11,16H,3-5,8,10H2,1-2H3
InChIKeySLKSWGYSWXAGCT-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.90
Rot. Bonds7

About N-(cyclopropylmethyl)-3-(methylamino)-4-nitro-N-propylbenzamide

N-(cyclopropylmethyl)-3-(methylamino)-4-nitro-N-propylbenzamide (PubChem CID 62682299) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(methylamino)-4-nitro-N-propylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(methylamino)-4-nitro-N-propylbenzamide
PubChem CID62682299
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(cyclopropylmethyl)-3-(methylamino)-4-nitro-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1ccc([N+](=O)[O-])c(NC)c1
InChIInChI=1S/C15H21N3O3/c1-3-8-17(10-11-4-5-11)15(19)12-6-7-14(18(20)21)13(9-12)16-2/h6-7,9,11,16H,3-5,8,10H2,1-2H3
InChIKeySLKSWGYSWXAGCT-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-(cyclopropylmethyl)-3-fluoro-4-nitro-N-propylbenzamide
CID 62680227
N-ethyl-4-(methylamino)-3-nitro-N-[[(3R)-oxolan-3-yl]methyl]benzamide
CID 94797422
N-(cyclobutylmethyl)-3-(methylamino)-4-nitrobenzamide
CID 62682663
3-methyl-4-nitro-N,N-dipropylbenzamide
CID 786985
N-ethyl-3-(methylamino)-4-nitrobenzamide
CID 62683031
N-(cyclopropylmethyl)-N-ethyl-5-(methylamino)-2-nitrobenzamide
CID 63939145
N-(cyclopropylmethyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-propylbenzamide
CID 51166166
N-butan-2-yl-N-ethyl-3-(methylamino)-4-nitrobenzamide
CID 62681388
3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide
CID 60654225
N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-4-nitrobenzamide
CID 62856100
3-(methylamino)-4-nitrobenzoic acid
CID 22184623
N-(cyclopropylmethyl)-3-methylsulfonyl-5-nitro-N-propylbenzamide
CID 47852057

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-(methylamino)-4-nitro-N-propylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-3-(methylamino)-4-nitro-N-propylbenzamide (CID 62682299) is N-(cyclopropylmethyl)-3-(methylamino)-4-nitro-N-propylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(methylamino)-4-nitro-N-propylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-(methylamino)-4-nitro-N-propylbenzamide is CCCN(CC1CC1)C(=O)c1ccc([N+](=O)[O-])c(NC)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-(methylamino)-4-nitro-N-propylbenzamide?
The InChIKey is SLKSWGYSWXAGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-8-17(10-11-4-5-11)15(19)12-6-7-14(18(20)21)13(9-12)16-2/h6-7,9,11,16H,3-5,8,10H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-3-(methylamino)-4-nitro-N-propylbenzamide?
N-(cyclopropylmethyl)-3-(methylamino)-4-nitro-N-propylbenzamide 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)-3-(methylamino)-4-nitro-N-propylbenzamide is sourced from PubChem (CID 62682299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).