2-amino-N-[2-(dimethylamino)ethyl]-5-nitro-N-propylbenzamide

C14H22N4O3 — CID 62161614

IUPAC2-amino-N-[2-(dimethylamino)ethyl]-5-nitro-N-propylbenzamide
SMILESCCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C14H22N4O3/c1-4-7-17(9-8-16(2)3)14(19)12-10-11(18(20)21)5-6-13(12)15/h5-6,10H,4,7-9,15H2,1-3H3
InChIKeyLIDIHBYQOWZKPS-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.59
Rot. Bonds7

About 2-amino-N-[2-(dimethylamino)ethyl]-5-nitro-N-propylbenzamide

2-amino-N-[2-(dimethylamino)ethyl]-5-nitro-N-propylbenzamide (PubChem CID 62161614) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)ethyl]-5-nitro-N-propylbenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)ethyl]-5-nitro-N-propylbenzamide
PubChem CID62161614
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-amino-N-[2-(dimethylamino)ethyl]-5-nitro-N-propylbenzamide
SMILESCCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C14H22N4O3/c1-4-7-17(9-8-16(2)3)14(19)12-10-11(18(20)21)5-6-13(12)15/h5-6,10H,4,7-9,15H2,1-3H3
InChIKeyLIDIHBYQOWZKPS-UHFFFAOYSA-N
XLogP1.59
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-amino-N-butyl-N-ethyl-5-nitrobenzamide
CID 62072954
2-(dimethylamino)-5-nitro-N,N-dipropylbenzamide
CID 78798198
2-iodo-5-nitro-N,N-dipropylbenzamide
CID 43317576
2-(dimethylamino)-N-(2-hydroxyethyl)-5-nitro-N-propylbenzamide
CID 110878707
2-chloro-N-(2-hydroxyethyl)-5-nitro-N-propylbenzamide
CID 60747371
2-amino-N,N-bis(cyanomethyl)-5-nitrobenzamide
CID 62153028
2-amino-5-methyl-N,N-dipropylbenzamide
CID 62073624
4-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide
CID 81241040
2-amino-N-[2-(dimethylamino)ethyl]-4-fluoro-N-propylbenzamide
CID 63110466
2-amino-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide
CID 62155970
2-amino-N-ethyl-5-nitro-N-propylpyridine-3-carboxamide
CID 104585991
N-[2-(dimethylamino)ethyl]-3-fluoro-4-nitro-N-propylbenzamide
CID 62682179

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-5-nitro-N-propylbenzamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-5-nitro-N-propylbenzamide (CID 62161614) is 2-amino-N-[2-(dimethylamino)ethyl]-5-nitro-N-propylbenzamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)ethyl]-5-nitro-N-propylbenzamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)ethyl]-5-nitro-N-propylbenzamide is CCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])ccc1N.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)ethyl]-5-nitro-N-propylbenzamide?
The InChIKey is LIDIHBYQOWZKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-7-17(9-8-16(2)3)14(19)12-10-11(18(20)21)5-6-13(12)15/h5-6,10H,4,7-9,15H2,1-3H3.
What are the key properties of 2-amino-N-[2-(dimethylamino)ethyl]-5-nitro-N-propylbenzamide?
2-amino-N-[2-(dimethylamino)ethyl]-5-nitro-N-propylbenzamide has a molecular weight of 294.35 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)ethyl]-5-nitro-N-propylbenzamide is sourced from PubChem (CID 62161614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).