2-(dimethylamino)-5-nitro-N,N-dipropylbenzamide

C15H23N3O3 — CID 78798198

IUPAC2-(dimethylamino)-5-nitro-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C
InChIInChI=1S/C15H23N3O3/c1-5-9-17(10-6-2)15(19)13-11-12(18(20)21)7-8-14(13)16(3)4/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyILVXHTMJZWUERG-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.92
Rot. Bonds7

About 2-(dimethylamino)-5-nitro-N,N-dipropylbenzamide

2-(dimethylamino)-5-nitro-N,N-dipropylbenzamide (PubChem CID 78798198) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(dimethylamino)-5-nitro-N,N-dipropylbenzamide.

Molecular Properties

Compound Name2-(dimethylamino)-5-nitro-N,N-dipropylbenzamide
PubChem CID78798198
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-(dimethylamino)-5-nitro-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C
InChIInChI=1S/C15H23N3O3/c1-5-9-17(10-6-2)15(19)13-11-12(18(20)21)7-8-14(13)16(3)4/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyILVXHTMJZWUERG-UHFFFAOYSA-N
XLogP2.92
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-N-(2-hydroxyethyl)-5-nitro-N-propylbenzamide
CID 110878707
2-iodo-5-nitro-N,N-dipropylbenzamide
CID 43317576
2-amino-N-[2-(dimethylamino)ethyl]-5-nitro-N-propylbenzamide
CID 62161614
2-chloro-N-(2-hydroxyethyl)-5-nitro-N-propylbenzamide
CID 60747371
2-(dimethylamino)-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide
CID 47163635
2-(dimethylamino)-N-ethyl-5-nitro-N-[[(3R)-oxolan-3-yl]methyl]benzamide
CID 94806475
2-(dimethylamino)-5-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 47099164
2-(dimethylamino)-N-(2-methoxyethyl)-5-nitrobenzamide
CID 29198574
N-[4-(diethylcarbamoyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide
CID 7551785
2-(dimethylamino)-N-methyl-5-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 18086709
methyl 2-[(2-fluoro-5-nitrobenzoyl)-propylamino]acetate
CID 61050888
2-amino-N-butyl-N-ethyl-5-nitrobenzamide
CID 62072954

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-nitro-N,N-dipropylbenzamide?
The IUPAC name of 2-(dimethylamino)-5-nitro-N,N-dipropylbenzamide (CID 78798198) is 2-(dimethylamino)-5-nitro-N,N-dipropylbenzamide.
What is the SMILES notation for 2-(dimethylamino)-5-nitro-N,N-dipropylbenzamide?
The canonical SMILES for 2-(dimethylamino)-5-nitro-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C.
What is the InChIKey of 2-(dimethylamino)-5-nitro-N,N-dipropylbenzamide?
The InChIKey is ILVXHTMJZWUERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-9-17(10-6-2)15(19)13-11-12(18(20)21)7-8-14(13)16(3)4/h7-8,11H,5-6,9-10H2,1-4H3.
What are the key properties of 2-(dimethylamino)-5-nitro-N,N-dipropylbenzamide?
2-(dimethylamino)-5-nitro-N,N-dipropylbenzamide has a molecular weight of 293.37 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-nitro-N,N-dipropylbenzamide is sourced from PubChem (CID 78798198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).