N-[2-(diethylamino)ethyl]-4-(dimethylamino)-2-methoxy-5-nitrobenzamide;hydrochloride

C16H27ClN4O4 — CID 2829605

IUPACN-[2-(diethylamino)ethyl]-4-(dimethylamino)-2-methoxy-5-nitrobenzamide;hydrochloride
SMILESCCN(CC)CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1OC.Cl
InChIInChI=1S/C16H26N4O4.ClH/c1-6-19(7-2)9-8-17-16(21)12-10-14(20(22)23)13(18(3)4)11-15(12)24-5;/h10-11H,6-9H2,1-5H3,(H,17,21);1H
InChIKeyCUHDCJWCMZTSQV-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.16
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-4-(dimethylamino)-2-methoxy-5-nitrobenzamide;hydrochloride

N-[2-(diethylamino)ethyl]-4-(dimethylamino)-2-methoxy-5-nitrobenzamide;hydrochloride (PubChem CID 2829605) has the molecular formula C16H27ClN4O4 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-(dimethylamino)-2-methoxy-5-nitrobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-(dimethylamino)-2-methoxy-5-nitrobenzamide;hydrochloride
PubChem CID2829605
Molecular FormulaC16H27ClN4O4
Molecular Weight374.87 g/mol
Exact Mass374.17
IUPAC NameN-[2-(diethylamino)ethyl]-4-(dimethylamino)-2-methoxy-5-nitrobenzamide;hydrochloride
SMILESCCN(CC)CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1OC.Cl
InChIInChI=1S/C16H26N4O4.ClH/c1-6-19(7-2)9-8-17-16(21)12-10-14(20(22)23)13(18(3)4)11-15(12)24-5;/h10-11H,6-9H2,1-5H3,(H,17,21);1H
InChIKeyCUHDCJWCMZTSQV-UHFFFAOYSA-N
XLogP2.16
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.16
H-Bond Donors ≤ 51
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'}

Analyze N-[2-(diethylamino)ethyl]-4-(dimethylamino)-2-methoxy-5-nitrobenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-(dimethylamino)-2-methoxy-5-nitrobenzamide;hydrochloride?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-(dimethylamino)-2-methoxy-5-nitrobenzamide;hydrochloride (CID 2829605) is N-[2-(diethylamino)ethyl]-4-(dimethylamino)-2-methoxy-5-nitrobenzamide;hydrochloride.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-(dimethylamino)-2-methoxy-5-nitrobenzamide;hydrochloride?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-(dimethylamino)-2-methoxy-5-nitrobenzamide;hydrochloride is CCN(CC)CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1OC.Cl.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-(dimethylamino)-2-methoxy-5-nitrobenzamide;hydrochloride?
The InChIKey is CUHDCJWCMZTSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4.ClH/c1-6-19(7-2)9-8-17-16(21)12-10-14(20(22)23)13(18(3)4)11-15(12)24-5;/h10-11H,6-9H2,1-5H3,(H,17,21);1H.
What are the key properties of N-[2-(diethylamino)ethyl]-4-(dimethylamino)-2-methoxy-5-nitrobenzamide;hydrochloride?
N-[2-(diethylamino)ethyl]-4-(dimethylamino)-2-methoxy-5-nitrobenzamide;hydrochloride has a molecular weight of 374.87 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-(dimethylamino)-2-methoxy-5-nitrobenzamide;hydrochloride is sourced from PubChem (CID 2829605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).