N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-ethyl-1H-pyrrole-2-carboxamide

C18H25N3O — CID 126452908

IUPACN-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-ethyl-1H-pyrrole-2-carboxamide
SMILESCCc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)[nH]1
InChIInChI=1S/C18H25N3O/c1-5-15-10-11-16(20-15)18(22)19-12-17(21(3)4)14-8-6-13(2)7-9-14/h6-11,17,20H,5,12H2,1-4H3,(H,19,22)/t17-/m0/s1
InChIKeyVEHHPINKWIFASF-KRWDZBQOSA-N
MW299.42 g/mol
LogP2.92
Rot. Bonds6

About N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-ethyl-1H-pyrrole-2-carboxamide

N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-ethyl-1H-pyrrole-2-carboxamide (PubChem CID 126452908) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-ethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-ethyl-1H-pyrrole-2-carboxamide
PubChem CID126452908
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-ethyl-1H-pyrrole-2-carboxamide
SMILESCCc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)[nH]1
InChIInChI=1S/C18H25N3O/c1-5-15-10-11-16(20-15)18(22)19-12-17(21(3)4)14-8-6-13(2)7-9-14/h6-11,17,20H,5,12H2,1-4H3,(H,19,22)/t17-/m0/s1
InChIKeyVEHHPINKWIFASF-KRWDZBQOSA-N
XLogP2.92
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-ethyl-1H-pyrrole-2-carboxamide
CID 125442761
3-acetyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 74239195
1-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylurea
CID 94214383
3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,1-diethylurea
CID 60597801
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide
CID 7496074
N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-phenylbenzamide
CID 8701383
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 94812061
2-amino-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methylpropanamide
CID 119859431
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 46422034
5-ethyl-N-(2-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide
CID 91791046
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 47082065
1-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 95191116

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-ethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-ethyl-1H-pyrrole-2-carboxamide (CID 126452908) is N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-ethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-ethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-ethyl-1H-pyrrole-2-carboxamide is CCc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)[nH]1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-ethyl-1H-pyrrole-2-carboxamide?
The InChIKey is VEHHPINKWIFASF-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25N3O/c1-5-15-10-11-16(20-15)18(22)19-12-17(21(3)4)14-8-6-13(2)7-9-14/h6-11,17,20H,5,12H2,1-4H3,(H,19,22)/t17-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-ethyl-1H-pyrrole-2-carboxamide?
N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-ethyl-1H-pyrrole-2-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-ethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 126452908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).