N-[3-(aminomethyl)pentan-3-yl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide

C22H29N3O4 — CID 119570884

IUPACN-[3-(aminomethyl)pentan-3-yl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
SMILESCCC(CC)(CN)NC(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C22H29N3O4/c1-4-22(5-2,15-23)25-21(27)16-9-11-18(12-10-16)29-14-20(26)24-17-7-6-8-19(13-17)28-3/h6-13H,4-5,14-15,23H2,1-3H3,(H,24,26)(H,25,27)
InChIKeySAUWQFZIKIQPMT-UHFFFAOYSA-N
MW399.49 g/mol
LogP2.96
Rot. Bonds10

About N-[3-(aminomethyl)pentan-3-yl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide

N-[3-(aminomethyl)pentan-3-yl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide (PubChem CID 119570884) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
PubChem CID119570884
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
SMILESCCC(CC)(CN)NC(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C22H29N3O4/c1-4-22(5-2,15-23)25-21(27)16-9-11-18(12-10-16)29-14-20(26)24-17-7-6-8-19(13-17)28-3/h6-13H,4-5,14-15,23H2,1-3H3,(H,24,26)(H,25,27)
InChIKeySAUWQFZIKIQPMT-UHFFFAOYSA-N
XLogP2.96
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-(aminomethyl)pentan-3-yl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]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

2-[4-(aminomethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 16795321
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366
2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 55343241
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-(2-phenoxyethyl)benzamide
CID 27758187
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
(2-benzamido-2-oxoethyl) 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538923
N-ethyl-4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-methylbenzamide
CID 134057921
N-(2-amino-1-cyclopropylethyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide;hydrochloride
CID 119616067
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590569
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-pyrrolidin-3-ylbenzamide
CID 119452649
2-(3-ethoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 112977809
2-[4-(azocane-1-carbonyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 51145616

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide (CID 119570884) is N-[3-(aminomethyl)pentan-3-yl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide is CCC(CC)(CN)NC(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide?
The InChIKey is SAUWQFZIKIQPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-4-22(5-2,15-23)25-21(27)16-9-11-18(12-10-16)29-14-20(26)24-17-7-6-8-19(13-17)28-3/h6-13H,4-5,14-15,23H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide?
N-[3-(aminomethyl)pentan-3-yl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide has a molecular weight of 399.49 g/mol, XLogP of 2.96, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 119570884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).