(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-(2-pyrrol-1-ylethyl)acetamide

C17H23N3O — CID 97126387

IUPAC(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-(2-pyrrol-1-ylethyl)acetamide
SMILESCc1ccc([C@H](C(=O)NCCn2cccc2)N(C)C)cc1
InChIInChI=1S/C17H23N3O/c1-14-6-8-15(9-7-14)16(19(2)3)17(21)18-10-13-20-11-4-5-12-20/h4-9,11-12,16H,10,13H2,1-3H3,(H,18,21)/t16-/m1/s1
InChIKeyBNKVCKKYZLWZBU-MRXNPFEDSA-N
MW285.39 g/mol
LogP2.22
Rot. Bonds6

About (2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-(2-pyrrol-1-ylethyl)acetamide

(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-(2-pyrrol-1-ylethyl)acetamide (PubChem CID 97126387) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-(2-pyrrol-1-ylethyl)acetamide.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-(2-pyrrol-1-ylethyl)acetamide
PubChem CID97126387
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-(2-pyrrol-1-ylethyl)acetamide
SMILESCc1ccc([C@H](C(=O)NCCn2cccc2)N(C)C)cc1
InChIInChI=1S/C17H23N3O/c1-14-6-8-15(9-7-14)16(19(2)3)17(21)18-10-13-20-11-4-5-12-20/h4-9,11-12,16H,10,13H2,1-3H3,(H,18,21)/t16-/m1/s1
InChIKeyBNKVCKKYZLWZBU-MRXNPFEDSA-N
XLogP2.22
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-N-(3-hydroxypropyl)-2-(4-methylphenyl)acetamide
CID 72902135
2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 72844365
(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
CID 97202624
4-[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]butanoic acid
CID 97269726
2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(4-methylphenyl)acetamide
CID 72904212
(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 97136296
(2R)-2-(dimethylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 97200456
2-(dimethylamino)-N-[(2,6-dimethyl-4-pyridinyl)methyl]-2-(4-methylphenyl)acetamide
CID 72873453
(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
CID 136829812
2-(dimethylamino)-2-(4-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 50956198
2-(dimethylamino)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-phenylacetamide
CID 110621774
2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide
CID 72845654

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-(2-pyrrol-1-ylethyl)acetamide?
The IUPAC name of (2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-(2-pyrrol-1-ylethyl)acetamide (CID 97126387) is (2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-(2-pyrrol-1-ylethyl)acetamide.
What is the SMILES notation for (2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-(2-pyrrol-1-ylethyl)acetamide?
The canonical SMILES for (2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-(2-pyrrol-1-ylethyl)acetamide is Cc1ccc([C@H](C(=O)NCCn2cccc2)N(C)C)cc1.
What is the InChIKey of (2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-(2-pyrrol-1-ylethyl)acetamide?
The InChIKey is BNKVCKKYZLWZBU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23N3O/c1-14-6-8-15(9-7-14)16(19(2)3)17(21)18-10-13-20-11-4-5-12-20/h4-9,11-12,16H,10,13H2,1-3H3,(H,18,21)/t16-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-(2-pyrrol-1-ylethyl)acetamide?
(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-(2-pyrrol-1-ylethyl)acetamide has a molecular weight of 285.39 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-(2-pyrrol-1-ylethyl)acetamide is sourced from PubChem (CID 97126387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).