N-ethyl-4-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide

C22H29N3O3 — CID 54839290

IUPACN-ethyl-4-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NCC(=O)Nc2cccc(OCCC(C)C)c2)cc1
InChIInChI=1S/C22H29N3O3/c1-4-23-22(27)17-8-10-18(11-9-17)24-15-21(26)25-19-6-5-7-20(14-19)28-13-12-16(2)3/h5-11,14,16,24H,4,12-13,15H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyHNOVIZKGABEDJH-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.91
Rot. Bonds10

About N-ethyl-4-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide

N-ethyl-4-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54839290) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-ethyl-4-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54839290
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-ethyl-4-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NCC(=O)Nc2cccc(OCCC(C)C)c2)cc1
InChIInChI=1S/C22H29N3O3/c1-4-23-22(27)17-8-10-18(11-9-17)24-15-21(26)25-19-6-5-7-20(14-19)28-13-12-16(2)3/h5-11,14,16,24H,4,12-13,15H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyHNOVIZKGABEDJH-UHFFFAOYSA-N
XLogP3.91
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-ethyl-4-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide 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-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838866
4-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836756
N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824740
4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-butylbenzamide
CID 54832168
N-[3-[[2-[4-(3-methylbutoxy)anilino]acetyl]amino]phenyl]benzamide
CID 54821922
N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824951
N-ethyl-3-[[2-(3-propoxyanilino)acetyl]amino]benzamide
CID 36861007
N-(2-methoxyethyl)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide
CID 54836110
2-(3,4-dichloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54811762
N-butyl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54832134
N-(4-bromophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54825133
4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836079

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-ethyl-4-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide (CID 54839290) is N-ethyl-4-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-ethyl-4-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-ethyl-4-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide is CCNC(=O)c1ccc(NCC(=O)Nc2cccc(OCCC(C)C)c2)cc1.
What is the InChIKey of N-ethyl-4-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is HNOVIZKGABEDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-4-23-22(27)17-8-10-18(11-9-17)24-15-21(26)25-19-6-5-7-20(14-19)28-13-12-16(2)3/h5-11,14,16,24H,4,12-13,15H2,1-3H3,(H,23,27)(H,25,26).
What are the key properties of N-ethyl-4-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide?
N-ethyl-4-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 383.49 g/mol, XLogP of 3.91, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54839290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).