4,6-bis(2-aminoethoxy)-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide

C16H27N5O4 — CID 71043129

IUPAC4,6-bis(2-aminoethoxy)-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
SMILESCN(C)CCNC(=O)c1cc(C(N)=O)c(OCCN)cc1OCCN
InChIInChI=1S/C16H27N5O4/c1-21(2)6-5-20-16(23)12-9-11(15(19)22)13(24-7-3-17)10-14(12)25-8-4-18/h9-10H,3-8,17-18H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyLLVREQACGQZSLE-UHFFFAOYSA-N
MW353.42 g/mol
LogP-1.25
Rot. Bonds11

About 4,6-bis(2-aminoethoxy)-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide

4,6-bis(2-aminoethoxy)-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide (PubChem CID 71043129) has the molecular formula C16H27N5O4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4,6-bis(2-aminoethoxy)-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name4,6-bis(2-aminoethoxy)-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
PubChem CID71043129
Molecular FormulaC16H27N5O4
Molecular Weight353.42 g/mol
Exact Mass353.21
IUPAC Name4,6-bis(2-aminoethoxy)-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
SMILESCN(C)CCNC(=O)c1cc(C(N)=O)c(OCCN)cc1OCCN
InChIInChI=1S/C16H27N5O4/c1-21(2)6-5-20-16(23)12-9-11(15(19)22)13(24-7-3-17)10-14(12)25-8-4-18/h9-10H,3-8,17-18H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyLLVREQACGQZSLE-UHFFFAOYSA-N
XLogP-1.25
TPSA145.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4,6-bis(2-aminoethoxy)-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-N-[4-[[2,4-bis[5-(diaminomethylideneamino)pentoxy]-5-[[4-[[5-[2-(dimethylamino)ethylcarbamoyl]-2,4-dimethoxybenzoyl]amino]cyclohexyl]carbamoyl]benzoyl]amino]cyclohexyl]-1-N-[2-(dimethylamino)ethyl]-4,6-dimethoxybenzene-1,3-dicarboxamide
CID 88929636
N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
CID 110761060
2-(2-aminoethoxy)-5-chloro-N-[4-(dimethylamino)-4-oxobutyl]benzamide
CID 118770271
2-(2-aminoethoxy)-4-methylbenzamide
CID 62349382
tert-butyl N-[5-[4-carbamoyl-5-hexoxy-2-[2-(methylamino)ethylcarbamoyl]phenoxy]pentyl]carbamate
CID 122425730
4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide
CID 24701967
3-N-[4-[2-[2,4-bis[5-(diaminomethylideneamino)pentoxy]-5-[2-[4-[[5-[2-(dimethylamino)ethylcarbamoyl]-2,4-dimethoxybenzoyl]amino]cyclohexyl]acetyl]phenyl]-2-oxoethyl]cyclohexyl]-1-N-[2-(dimethylamino)ethyl]-4,6-dimethoxybenzene-1,3-dicarboxamide
CID 58359428
2-[2-(dimethylamino)ethoxy]-N-[3-(methylamino)propyl]benzamide
CID 119431025
N-[2-(dimethylamino)ethyl]-2-methoxy-5-phenylbenzamide
CID 110408034
N-[2-(dimethylamino)ethyl]-2-iodo-5-methoxybenzamide
CID 172648728
2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
CID 110763480
N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 17249262

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(2-aminoethoxy)-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 4,6-bis(2-aminoethoxy)-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide (CID 71043129) is 4,6-bis(2-aminoethoxy)-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 4,6-bis(2-aminoethoxy)-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 4,6-bis(2-aminoethoxy)-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide is CN(C)CCNC(=O)c1cc(C(N)=O)c(OCCN)cc1OCCN.
What is the InChIKey of 4,6-bis(2-aminoethoxy)-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide?
The InChIKey is LLVREQACGQZSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O4/c1-21(2)6-5-20-16(23)12-9-11(15(19)22)13(24-7-3-17)10-14(12)25-8-4-18/h9-10H,3-8,17-18H2,1-2H3,(H2,19,22)(H,20,23).
What are the key properties of 4,6-bis(2-aminoethoxy)-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide?
4,6-bis(2-aminoethoxy)-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide has a molecular weight of 353.42 g/mol, XLogP of -1.25, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(2-aminoethoxy)-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 71043129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).