1-[4-(dimethylamino)-3-methylbutanoyl]-3-phenylpyrrolidine-3-carboxamide

C18H27N3O2 — CID 136560475

IUPAC1-[4-(dimethylamino)-3-methylbutanoyl]-3-phenylpyrrolidine-3-carboxamide
SMILESCC(CC(=O)N1CCC(C(N)=O)(c2ccccc2)C1)CN(C)C
InChIInChI=1S/C18H27N3O2/c1-14(12-20(2)3)11-16(22)21-10-9-18(13-21,17(19)23)15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3,(H2,19,23)
InChIKeyGYHIBDKAWKUEOT-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.23
Rot. Bonds6

About 1-[4-(dimethylamino)-3-methylbutanoyl]-3-phenylpyrrolidine-3-carboxamide

1-[4-(dimethylamino)-3-methylbutanoyl]-3-phenylpyrrolidine-3-carboxamide (PubChem CID 136560475) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-3-methylbutanoyl]-3-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(dimethylamino)-3-methylbutanoyl]-3-phenylpyrrolidine-3-carboxamide
PubChem CID136560475
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-[4-(dimethylamino)-3-methylbutanoyl]-3-phenylpyrrolidine-3-carboxamide
SMILESCC(CC(=O)N1CCC(C(N)=O)(c2ccccc2)C1)CN(C)C
InChIInChI=1S/C18H27N3O2/c1-14(12-20(2)3)11-16(22)21-10-9-18(13-21,17(19)23)15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3,(H2,19,23)
InChIKeyGYHIBDKAWKUEOT-UHFFFAOYSA-N
XLogP1.23
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-3-methylbutanoyl]-3-phenylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-(dimethylamino)-3-methylbutanoyl]-3-phenylpyrrolidine-3-carboxamide (CID 136560475) is 1-[4-(dimethylamino)-3-methylbutanoyl]-3-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-(dimethylamino)-3-methylbutanoyl]-3-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-(dimethylamino)-3-methylbutanoyl]-3-phenylpyrrolidine-3-carboxamide is CC(CC(=O)N1CCC(C(N)=O)(c2ccccc2)C1)CN(C)C.
What is the InChIKey of 1-[4-(dimethylamino)-3-methylbutanoyl]-3-phenylpyrrolidine-3-carboxamide?
The InChIKey is GYHIBDKAWKUEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14(12-20(2)3)11-16(22)21-10-9-18(13-21,17(19)23)15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3,(H2,19,23).
What are the key properties of 1-[4-(dimethylamino)-3-methylbutanoyl]-3-phenylpyrrolidine-3-carboxamide?
1-[4-(dimethylamino)-3-methylbutanoyl]-3-phenylpyrrolidine-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-3-methylbutanoyl]-3-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 136560475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).