1-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide

C17H25N3O2 — CID 97145403

IUPAC1-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide
SMILESCc1ccc([C@@H](C(=O)NC2(C(N)=O)CCCC2)N(C)C)cc1
InChIInChI=1S/C17H25N3O2/c1-12-6-8-13(9-7-12)14(20(2)3)15(21)19-17(16(18)22)10-4-5-11-17/h6-9,14H,4-5,10-11H2,1-3H3,(H2,18,22)(H,19,21)/t14-/m0/s1
InChIKeyYUIKEHDDTLJRMP-AWEZNQCLSA-N
MW303.41 g/mol
LogP1.51
Rot. Bonds5

About 1-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide

1-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide (PubChem CID 97145403) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide
PubChem CID97145403
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide
SMILESCc1ccc([C@@H](C(=O)NC2(C(N)=O)CCCC2)N(C)C)cc1
InChIInChI=1S/C17H25N3O2/c1-12-6-8-13(9-7-12)14(20(2)3)15(21)19-17(16(18)22)10-4-5-11-17/h6-9,14H,4-5,10-11H2,1-3H3,(H2,18,22)(H,19,21)/t14-/m0/s1
InChIKeyYUIKEHDDTLJRMP-AWEZNQCLSA-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-[[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)acetyl]amino]cyclopentane-1-carboxamide
CID 91837261
1-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxamide
CID 97205791
1-[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide
CID 72869919
4-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]oxane-4-carboxylic acid
CID 97269346
2-(dimethylamino)-2-(4-methylphenyl)-N-(1-phenylcyclopropyl)acetamide
CID 72856255
1-[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]-N-methylcyclohexane-1-carboxamide
CID 97203905
1-[[(4-methylphenyl)-phenylmethyl]carbamoylamino]cyclohexane-1-carboxamide
CID 122569767
1-(4-methylanilino)cyclobutane-1-carboxamide
CID 61006087
2-(dimethylamino)-2-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 72892390
1-[(3-amino-2-methyl-3-phenylpropanoyl)amino]cyclohexane-1-carboxamide
CID 119735685
2-(dimethylamino)-N-(3-hydroxypropyl)-2-(4-methylphenyl)acetamide
CID 72902135
(2R)-2-(dimethylamino)-N-[1-(hydroxymethyl)cyclopentyl]-2-(3-methylphenyl)acetamide
CID 97154573

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide?
The IUPAC name of 1-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide (CID 97145403) is 1-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide is Cc1ccc([C@@H](C(=O)NC2(C(N)=O)CCCC2)N(C)C)cc1.
What is the InChIKey of 1-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide?
The InChIKey is YUIKEHDDTLJRMP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-6-8-13(9-7-12)14(20(2)3)15(21)19-17(16(18)22)10-4-5-11-17/h6-9,14H,4-5,10-11H2,1-3H3,(H2,18,22)(H,19,21)/t14-/m0/s1.
What are the key properties of 1-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide?
1-[[(2S)-2-(dimethylamino)-2-(4-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-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 97145403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).