3-[[2-[benzyl(oxolan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide

C24H29N3O3 — CID 55994012

IUPAC3-[[2-[benzyl(oxolan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide
SMILESO=C(CN(Cc1ccccc1)CC1CCCO1)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C24H29N3O3/c28-23(25-21-9-4-8-19(14-21)24(29)26-20-11-12-20)17-27(16-22-10-5-13-30-22)15-18-6-2-1-3-7-18/h1-4,6-9,14,20,22H,5,10-13,15-17H2,(H,25,28)(H,26,29)
InChIKeyGGHOECKFHKNJHK-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.20
Rot. Bonds9

About 3-[[2-[benzyl(oxolan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide

3-[[2-[benzyl(oxolan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide (PubChem CID 55994012) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 3-[[2-[benzyl(oxolan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[[2-[benzyl(oxolan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide
PubChem CID55994012
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name3-[[2-[benzyl(oxolan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide
SMILESO=C(CN(Cc1ccccc1)CC1CCCO1)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C24H29N3O3/c28-23(25-21-9-4-8-19(14-21)24(29)26-20-11-12-20)17-27(16-22-10-5-13-30-22)15-18-6-2-1-3-7-18/h1-4,6-9,14,20,22H,5,10-13,15-17H2,(H,25,28)(H,26,29)
InChIKeyGGHOECKFHKNJHK-UHFFFAOYSA-N
XLogP3.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-[benzyl(oxolan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide 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

N-cyclopropyl-3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]benzamide
CID 47537148
2-[benzyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 60514317
2-[benzyl(oxolan-2-ylmethyl)amino]-N-(3-ethylphenyl)acetamide
CID 55840577
N-(3-acetylphenyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 60585132
2-[benzyl(oxolan-2-ylmethyl)amino]-N-(2-fluorophenyl)acetamide
CID 78899950
N-(1-acetylpiperidin-4-yl)-2-[benzyl(oxolan-2-ylmethyl)amino]acetamide
CID 55995840
N-cyclopropyl-3-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)carbamoyl]amino]benzamide
CID 55834532
N-ethyl-3-[[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide
CID 8926142
N-cyclopropyl-3-[[2-[(2-phenylacetyl)amino]acetyl]amino]benzamide
CID 26110998
2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(4-methylphenyl)acetamide
CID 78899688
2-[benzyl(oxolan-2-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 55995832
N-(cyclopentylcarbamoyl)-2-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 49309235

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[benzyl(oxolan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 3-[[2-[benzyl(oxolan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide (CID 55994012) is 3-[[2-[benzyl(oxolan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[[2-[benzyl(oxolan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[[2-[benzyl(oxolan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide is O=C(CN(Cc1ccccc1)CC1CCCO1)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of 3-[[2-[benzyl(oxolan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide?
The InChIKey is GGHOECKFHKNJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c28-23(25-21-9-4-8-19(14-21)24(29)26-20-11-12-20)17-27(16-22-10-5-13-30-22)15-18-6-2-1-3-7-18/h1-4,6-9,14,20,22H,5,10-13,15-17H2,(H,25,28)(H,26,29).
What are the key properties of 3-[[2-[benzyl(oxolan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide?
3-[[2-[benzyl(oxolan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide has a molecular weight of 407.51 g/mol, XLogP of 3.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[benzyl(oxolan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 55994012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).