2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide

C18H25N3OS — CID 120872602

IUPAC2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CNC(=O)CN(CCN)CCc1ccccc1
InChIInChI=1S/C18H25N3OS/c1-15-8-12-23-17(15)13-20-18(22)14-21(11-9-19)10-7-16-5-3-2-4-6-16/h2-6,8,12H,7,9-11,13-14,19H2,1H3,(H,20,22)
InChIKeyJWJUEYSNTBRCLV-UHFFFAOYSA-N
MW331.49 g/mol
LogP2.18
Rot. Bonds9

About 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide

2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 120872602) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID120872602
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CNC(=O)CN(CCN)CCc1ccccc1
InChIInChI=1S/C18H25N3OS/c1-15-8-12-23-17(15)13-20-18(22)14-21(11-9-19)10-7-16-5-3-2-4-6-16/h2-6,8,12H,7,9-11,13-14,19H2,1H3,(H,20,22)
InChIKeyJWJUEYSNTBRCLV-UHFFFAOYSA-N
XLogP2.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylphenyl)methyl]acetamide
CID 120872033
N'-[(3-methylthiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912634
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3,5-difluorophenyl)methyl]acetamide
CID 120872604
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3,5-difluorophenyl)methyl]acetamide;hydrochloride
CID 120872603
1-[(3-methylthiophen-2-yl)methyl]-3-(2-phenylethyl)urea
CID 33421608
2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide
CID 120872102
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)acetamide;hydrochloride
CID 120872387
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,4-dimethylphenyl)acetamide;hydrochloride
CID 120871779
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride
CID 120872551
2-[(2-fluorophenyl)methyl-methylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 87013271
2-[2-aminoethyl(2-phenylethyl)amino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 120872071
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
CID 120871806

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 120872602) is 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide is Cc1ccsc1CNC(=O)CN(CCN)CCc1ccccc1.
What is the InChIKey of 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is JWJUEYSNTBRCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-15-8-12-23-17(15)13-20-18(22)14-21(11-9-19)10-7-16-5-3-2-4-6-16/h2-6,8,12H,7,9-11,13-14,19H2,1H3,(H,20,22).
What are the key properties of 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 331.49 g/mol, XLogP of 2.18, 9 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-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 120872602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).