N-(2-aminoethyl)-N-cyclopentyl-2-(3,4-dimethylphenyl)acetamide

C17H26N2O — CID 63754631

IUPACN-(2-aminoethyl)-N-cyclopentyl-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)N(CCN)C2CCCC2)cc1C
InChIInChI=1S/C17H26N2O/c1-13-7-8-15(11-14(13)2)12-17(20)19(10-9-18)16-5-3-4-6-16/h7-8,11,16H,3-6,9-10,12,18H2,1-2H3
InChIKeyIAWJGPCMPFSCPC-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.58
Rot. Bonds5

About N-(2-aminoethyl)-N-cyclopentyl-2-(3,4-dimethylphenyl)acetamide

N-(2-aminoethyl)-N-cyclopentyl-2-(3,4-dimethylphenyl)acetamide (PubChem CID 63754631) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclopentyl-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclopentyl-2-(3,4-dimethylphenyl)acetamide
PubChem CID63754631
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(2-aminoethyl)-N-cyclopentyl-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)N(CCN)C2CCCC2)cc1C
InChIInChI=1S/C17H26N2O/c1-13-7-8-15(11-14(13)2)12-17(20)19(10-9-18)16-5-3-4-6-16/h7-8,11,16H,3-6,9-10,12,18H2,1-2H3
InChIKeyIAWJGPCMPFSCPC-UHFFFAOYSA-N
XLogP2.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-N-cyclopentyl-2-(3-methylphenyl)acetamide
CID 63754808
N'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine
CID 102875205
N-(2-aminoethyl)-N-cyclopentyl-2-(2-hydroxyphenyl)acetamide
CID 80743733
2-[cyclobutyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
CID 146135252
N-(2-bromoethyl)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 80659780
N-(2-aminoethyl)-N-cyclohexyl-2-(2-hydroxyphenyl)acetamide
CID 80740387
N-(2-aminoethyl)-N-cyclopentyl-3-fluoro-4-methylbenzamide
CID 63755708
2-[4-(aminomethyl)phenyl]-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
CID 102858984
N-(2-aminoethyl)-N-cyclobutyl-2-(2,4-difluorophenyl)acetamide
CID 102874077
N-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 63391287
2-(3,4-dimethylphenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 62537495
N-(2-bromoethyl)-N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 80659704

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclopentyl-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclopentyl-2-(3,4-dimethylphenyl)acetamide (CID 63754631) is N-(2-aminoethyl)-N-cyclopentyl-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclopentyl-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclopentyl-2-(3,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)N(CCN)C2CCCC2)cc1C.
What is the InChIKey of N-(2-aminoethyl)-N-cyclopentyl-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is IAWJGPCMPFSCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-7-8-15(11-14(13)2)12-17(20)19(10-9-18)16-5-3-4-6-16/h7-8,11,16H,3-6,9-10,12,18H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-cyclopentyl-2-(3,4-dimethylphenyl)acetamide?
N-(2-aminoethyl)-N-cyclopentyl-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 274.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-cyclopentyl-2-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 63754631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).