2-[2-aminoethyl(2-phenylethyl)amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide;hydrochloride

C24H34ClN3O2 — CID 120871727

IUPAC2-[2-aminoethyl(2-phenylethyl)amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)CC(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C24H33N3O2.ClH/c25-14-16-27(15-11-21-7-3-1-4-8-21)19-23(28)26-20-24(12-17-29-18-13-24)22-9-5-2-6-10-22;/h1-10H,11-20,25H2,(H,26,28);1H
InChIKeyXLYOQYIRSMTBRV-UHFFFAOYSA-N
MW432.01 g/mol
LogP2.78
Rot. Bonds10

About 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide;hydrochloride

2-[2-aminoethyl(2-phenylethyl)amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide;hydrochloride (PubChem CID 120871727) has the molecular formula C24H34ClN3O2 and a molecular weight of 432.01 g/mol. Its IUPAC name is 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-aminoethyl(2-phenylethyl)amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide;hydrochloride
PubChem CID120871727
Molecular FormulaC24H34ClN3O2
Molecular Weight432.01 g/mol
Exact Mass431.23
IUPAC Name2-[2-aminoethyl(2-phenylethyl)amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)CC(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C24H33N3O2.ClH/c25-14-16-27(15-11-21-7-3-1-4-8-21)19-23(28)26-20-24(12-17-29-18-13-24)22-9-5-2-6-10-22;/h1-10H,11-20,25H2,(H,26,28);1H
InChIKeyXLYOQYIRSMTBRV-UHFFFAOYSA-N
XLogP2.78
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.01
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide;hydrochloride 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-[2-aminoethyl(2-phenylethyl)amino]-N-(oxan-4-yl)acetamide
CID 120872328
2-[(2-chlorophenyl)methyl-ethylamino]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55852266
3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 119731118
2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3,5-difluorophenyl)methyl]acetamide;hydrochloride
CID 120872603
N-[(4-phenyloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 71806730
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 27448950
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide
CID 120560576
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride
CID 120872551
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide
CID 75538689
2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 111430576

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide;hydrochloride (CID 120871727) is 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide;hydrochloride is Cl.NCCN(CCc1ccccc1)CC(=O)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide;hydrochloride?
The InChIKey is XLYOQYIRSMTBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2.ClH/c25-14-16-27(15-11-21-7-3-1-4-8-21)19-23(28)26-20-24(12-17-29-18-13-24)22-9-5-2-6-10-22;/h1-10H,11-20,25H2,(H,26,28);1H.
What are the key properties of 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide;hydrochloride?
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide;hydrochloride has a molecular weight of 432.01 g/mol, XLogP of 2.78, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 120871727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).