4-(4-methoxyphenyl)-1-propanoyl-N-propylpyrrolidine-3-carboxamide

C18H26N2O3 — CID 42825864

IUPAC4-(4-methoxyphenyl)-1-propanoyl-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1CN(C(=O)CC)CC1c1ccc(OC)cc1
InChIInChI=1S/C18H26N2O3/c1-4-10-19-18(22)16-12-20(17(21)5-2)11-15(16)13-6-8-14(23-3)9-7-13/h6-9,15-16H,4-5,10-12H2,1-3H3,(H,19,22)
InChIKeyVJVDSKJDLTWYIV-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.17
Rot. Bonds6

About 4-(4-methoxyphenyl)-1-propanoyl-N-propylpyrrolidine-3-carboxamide

4-(4-methoxyphenyl)-1-propanoyl-N-propylpyrrolidine-3-carboxamide (PubChem CID 42825864) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-propanoyl-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-propanoyl-N-propylpyrrolidine-3-carboxamide
PubChem CID42825864
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name4-(4-methoxyphenyl)-1-propanoyl-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1CN(C(=O)CC)CC1c1ccc(OC)cc1
InChIInChI=1S/C18H26N2O3/c1-4-10-19-18(22)16-12-20(17(21)5-2)11-15(16)13-6-8-14(23-3)9-7-13/h6-9,15-16H,4-5,10-12H2,1-3H3,(H,19,22)
InChIKeyVJVDSKJDLTWYIV-UHFFFAOYSA-N
XLogP2.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-N-(3-methylbutyl)-1-propanoylpyrrolidine-3-carboxamide
CID 42825886
1-acetyl-4-(4-methoxyphenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 42680263
(3S,4S)-4-(3-fluorophenyl)-1-propanoyl-N-propylpyrrolidine-3-carboxamide
CID 97479191
4-(4-methoxyphenyl)-N-(3-methylbutyl)-1-(2-phenylacetyl)pyrrolidine-3-carboxamide
CID 42680269
1-[3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 42825906
1-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrrolidine-3-carboxamide
CID 42680230
4-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1-propanoylpyrrolidine-3-carboxamide
CID 42830404
(3S,4S)-1-(3,3-dimethylbutanoyl)-4-phenyl-N-propylpyrrolidine-3-carboxamide
CID 97478867
1-(cyclopropanecarbonyl)-4-(4-methoxyphenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 42680202
(3S,4S)-4-(4-methoxyphenyl)-1-(2-methylpropanoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 93148640
1-benzoyl-N-(cyclopropylmethyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42825879
N-(cyclopropylmethyl)-1-(4-methoxybenzoyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 42680496

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-propanoyl-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-1-propanoyl-N-propylpyrrolidine-3-carboxamide (CID 42825864) is 4-(4-methoxyphenyl)-1-propanoyl-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-propanoyl-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-1-propanoyl-N-propylpyrrolidine-3-carboxamide is CCCNC(=O)C1CN(C(=O)CC)CC1c1ccc(OC)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-propanoyl-N-propylpyrrolidine-3-carboxamide?
The InChIKey is VJVDSKJDLTWYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-10-19-18(22)16-12-20(17(21)5-2)11-15(16)13-6-8-14(23-3)9-7-13/h6-9,15-16H,4-5,10-12H2,1-3H3,(H,19,22).
What are the key properties of 4-(4-methoxyphenyl)-1-propanoyl-N-propylpyrrolidine-3-carboxamide?
4-(4-methoxyphenyl)-1-propanoyl-N-propylpyrrolidine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-propanoyl-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 42825864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).