2-(ethylamino)-N,N-bis(2-hydroxyethyl)-5-nitrobenzamide

C13H19N3O5 — CID 62180083

IUPAC2-(ethylamino)-N,N-bis(2-hydroxyethyl)-5-nitrobenzamide
SMILESCCNc1ccc([N+](=O)[O-])cc1C(=O)N(CCO)CCO
InChIInChI=1S/C13H19N3O5/c1-2-14-12-4-3-10(16(20)21)9-11(12)13(19)15(5-7-17)6-8-18/h3-4,9,14,17-18H,2,5-8H2,1H3
InChIKeyIOHAQFCETADGEW-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.45
Rot. Bonds8

About 2-(ethylamino)-N,N-bis(2-hydroxyethyl)-5-nitrobenzamide

2-(ethylamino)-N,N-bis(2-hydroxyethyl)-5-nitrobenzamide (PubChem CID 62180083) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-(ethylamino)-N,N-bis(2-hydroxyethyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-(ethylamino)-N,N-bis(2-hydroxyethyl)-5-nitrobenzamide
PubChem CID62180083
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name2-(ethylamino)-N,N-bis(2-hydroxyethyl)-5-nitrobenzamide
SMILESCCNc1ccc([N+](=O)[O-])cc1C(=O)N(CCO)CCO
InChIInChI=1S/C13H19N3O5/c1-2-14-12-4-3-10(16(20)21)9-11(12)13(19)15(5-7-17)6-8-18/h3-4,9,14,17-18H,2,5-8H2,1H3
InChIKeyIOHAQFCETADGEW-UHFFFAOYSA-N
XLogP0.45
TPSA115.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-cyclopropyl-2-(ethylamino)-N-(2-hydroxyethyl)-5-nitrobenzamide
CID 62178015
2-(ethylamino)-N-methyl-5-nitro-N-pentylbenzamide
CID 62167944
N-ethyl-2-(ethylamino)-5-nitrobenzamide
CID 55042507
2-chloro-N-(2-hydroxyethyl)-5-nitro-N-propylbenzamide
CID 60747371
2-(ethylamino)-N-(2-hydroxyethyl)-5-methyl-N-propylbenzamide
CID 62510294
2-(dimethylamino)-N-(2-hydroxyethyl)-5-nitro-N-propylbenzamide
CID 110878707
2-chloro-N,N-bis(2-hydroxyethyl)-4-nitrobenzamide
CID 60653170
N-(1-cyclopropylethyl)-2-(ethylamino)-N-methyl-5-nitrobenzamide
CID 62168899
[2-(ethylamino)-5-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 62171436
2-(ethylamino)-N-methyl-5-nitro-N-(oxolan-3-yl)benzamide
CID 82734470
2-(ethylamino)-5-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 62175476
2-iodo-5-nitro-N,N-dipropylbenzamide
CID 43317576

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N,N-bis(2-hydroxyethyl)-5-nitrobenzamide?
The IUPAC name of 2-(ethylamino)-N,N-bis(2-hydroxyethyl)-5-nitrobenzamide (CID 62180083) is 2-(ethylamino)-N,N-bis(2-hydroxyethyl)-5-nitrobenzamide.
What is the SMILES notation for 2-(ethylamino)-N,N-bis(2-hydroxyethyl)-5-nitrobenzamide?
The canonical SMILES for 2-(ethylamino)-N,N-bis(2-hydroxyethyl)-5-nitrobenzamide is CCNc1ccc([N+](=O)[O-])cc1C(=O)N(CCO)CCO.
What is the InChIKey of 2-(ethylamino)-N,N-bis(2-hydroxyethyl)-5-nitrobenzamide?
The InChIKey is IOHAQFCETADGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-2-14-12-4-3-10(16(20)21)9-11(12)13(19)15(5-7-17)6-8-18/h3-4,9,14,17-18H,2,5-8H2,1H3.
What are the key properties of 2-(ethylamino)-N,N-bis(2-hydroxyethyl)-5-nitrobenzamide?
2-(ethylamino)-N,N-bis(2-hydroxyethyl)-5-nitrobenzamide has a molecular weight of 297.31 g/mol, XLogP of 0.45, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N,N-bis(2-hydroxyethyl)-5-nitrobenzamide is sourced from PubChem (CID 62180083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).