1-[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide

C17H25N3O2 — CID 72869919

IUPAC1-[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide
SMILESCc1ccccc1C(C(=O)NC1(C(N)=O)CCCC1)N(C)C
InChIInChI=1S/C17H25N3O2/c1-12-8-4-5-9-13(12)14(20(2)3)15(21)19-17(16(18)22)10-6-7-11-17/h4-5,8-9,14H,6-7,10-11H2,1-3H3,(H2,18,22)(H,19,21)
InChIKeyWWQIJSBVYBCDCV-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.51
Rot. Bonds5

About 1-[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide

1-[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide (PubChem CID 72869919) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide
PubChem CID72869919
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide
SMILESCc1ccccc1C(C(=O)NC1(C(N)=O)CCCC1)N(C)C
InChIInChI=1S/C17H25N3O2/c1-12-8-4-5-9-13(12)14(20(2)3)15(21)19-17(16(18)22)10-6-7-11-17/h4-5,8-9,14H,6-7,10-11H2,1-3H3,(H2,18,22)(H,19,21)
InChIKeyWWQIJSBVYBCDCV-UHFFFAOYSA-N
XLogP1.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide
CID 97145403
1-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxamide
CID 97205791
1-[[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)acetyl]amino]cyclopentane-1-carboxamide
CID 91837261
1-[amino-(2-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066805
1-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 125441465
1-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 122563950
2-(dimethylamino)-2-(2-methylphenyl)-N-(3-methylsulfanylpropyl)acetamide
CID 72846104
3-(2-methylanilino)piperidine-3-carboxamide
CID 79308355
1-[[(2S)-2-methyl-4-phenoxybutanoyl]amino]cyclopentane-1-carboxamide
CID 97087003
(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(2-methylphenyl)acetamide
CID 97209515
1-[[(4-methylphenyl)-phenylmethyl]carbamoylamino]cyclohexane-1-carboxamide
CID 122569767
1-[[2-chloro-2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 22327477

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide?
The IUPAC name of 1-[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide (CID 72869919) is 1-[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide is Cc1ccccc1C(C(=O)NC1(C(N)=O)CCCC1)N(C)C.
What is the InChIKey of 1-[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide?
The InChIKey is WWQIJSBVYBCDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-8-4-5-9-13(12)14(20(2)3)15(21)19-17(16(18)22)10-6-7-11-17/h4-5,8-9,14H,6-7,10-11H2,1-3H3,(H2,18,22)(H,19,21).
What are the key properties of 1-[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide?
1-[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 72869919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).