4-(1-cyclopropylpropan-2-ylamino)-N,N-dimethyl-3-nitrobenzamide

C15H21N3O3 — CID 82993209

IUPAC4-(1-cyclopropylpropan-2-ylamino)-N,N-dimethyl-3-nitrobenzamide
SMILESCC(CC1CC1)Nc1ccc(C(=O)N(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O3/c1-10(8-11-4-5-11)16-13-7-6-12(15(19)17(2)3)9-14(13)18(20)21/h6-7,9-11,16H,4-5,8H2,1-3H3
InChIKeyWMJYDDHDQCJLTC-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.90
Rot. Bonds6

About 4-(1-cyclopropylpropan-2-ylamino)-N,N-dimethyl-3-nitrobenzamide

4-(1-cyclopropylpropan-2-ylamino)-N,N-dimethyl-3-nitrobenzamide (PubChem CID 82993209) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-(1-cyclopropylpropan-2-ylamino)-N,N-dimethyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-(1-cyclopropylpropan-2-ylamino)-N,N-dimethyl-3-nitrobenzamide
PubChem CID82993209
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-(1-cyclopropylpropan-2-ylamino)-N,N-dimethyl-3-nitrobenzamide
SMILESCC(CC1CC1)Nc1ccc(C(=O)N(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O3/c1-10(8-11-4-5-11)16-13-7-6-12(15(19)17(2)3)9-14(13)18(20)21/h6-7,9-11,16H,4-5,8H2,1-3H3
InChIKeyWMJYDDHDQCJLTC-UHFFFAOYSA-N
XLogP2.90
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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,N-dimethyl-3-nitro-4-(pentan-2-ylamino)benzamide
CID 82990248
N,N-dimethyl-3-nitro-4-(pentan-3-ylamino)benzamide
CID 82993205
4-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethyl-3-nitrobenzamide
CID 82993221
N-(1-cyclobutylpropan-2-yl)-4-methyl-2-nitroaniline
CID 113489778
N,N-dimethyl-3-nitro-4-(thiolan-3-ylmethylamino)benzamide
CID 107296627
3-[4-(dimethylcarbamoyl)-2-nitroanilino]-2-methylpropanoic acid
CID 82989398
N,N-dimethyl-3-nitro-4-(pyrrolidin-3-ylmethylamino)benzamide
CID 82993219
N,N-dimethyl-4-[[2-methyl-3-(methylamino)propyl]amino]-3-nitrobenzamide
CID 82990261
N,N-dimethyl-3-nitro-4-(piperidin-4-ylamino)benzamide
CID 82993215
2-[4-(dimethylcarbamoyl)-2-nitroanilino]acetic acid
CID 82989393
N-(1-cyclopropylethyl)-4-hydrazinyl-N-methyl-3-nitrobenzamide
CID 62242335
4-(1-cyclopropylethylamino)-N-ethyl-3-nitrobenzamide
CID 82990994

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylpropan-2-ylamino)-N,N-dimethyl-3-nitrobenzamide?
The IUPAC name of 4-(1-cyclopropylpropan-2-ylamino)-N,N-dimethyl-3-nitrobenzamide (CID 82993209) is 4-(1-cyclopropylpropan-2-ylamino)-N,N-dimethyl-3-nitrobenzamide.
What is the SMILES notation for 4-(1-cyclopropylpropan-2-ylamino)-N,N-dimethyl-3-nitrobenzamide?
The canonical SMILES for 4-(1-cyclopropylpropan-2-ylamino)-N,N-dimethyl-3-nitrobenzamide is CC(CC1CC1)Nc1ccc(C(=O)N(C)C)cc1[N+](=O)[O-].
What is the InChIKey of 4-(1-cyclopropylpropan-2-ylamino)-N,N-dimethyl-3-nitrobenzamide?
The InChIKey is WMJYDDHDQCJLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(8-11-4-5-11)16-13-7-6-12(15(19)17(2)3)9-14(13)18(20)21/h6-7,9-11,16H,4-5,8H2,1-3H3.
What are the key properties of 4-(1-cyclopropylpropan-2-ylamino)-N,N-dimethyl-3-nitrobenzamide?
4-(1-cyclopropylpropan-2-ylamino)-N,N-dimethyl-3-nitrobenzamide has a molecular weight of 291.35 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylpropan-2-ylamino)-N,N-dimethyl-3-nitrobenzamide is sourced from PubChem (CID 82993209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).