N-carbamoyl-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]butanamide

C16H23N3O3 — CID 122132528

IUPACN-carbamoyl-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]butanamide
SMILESCOc1ccc(C2CCN(CCCC(=O)NC(N)=O)C2)cc1
InChIInChI=1S/C16H23N3O3/c1-22-14-6-4-12(5-7-14)13-8-10-19(11-13)9-2-3-15(20)18-16(17)21/h4-7,13H,2-3,8-11H2,1H3,(H3,17,18,20,21)
InChIKeyITPOYCMCIJPXCB-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.46
Rot. Bonds6

About N-carbamoyl-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]butanamide

N-carbamoyl-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]butanamide (PubChem CID 122132528) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-carbamoyl-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]butanamide.

Molecular Properties

Compound NameN-carbamoyl-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]butanamide
PubChem CID122132528
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-carbamoyl-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]butanamide
SMILESCOc1ccc(C2CCN(CCCC(=O)NC(N)=O)C2)cc1
InChIInChI=1S/C16H23N3O3/c1-22-14-6-4-12(5-7-14)13-8-10-19(11-13)9-2-3-15(20)18-16(17)21/h4-7,13H,2-3,8-11H2,1H3,(H3,17,18,20,21)
InChIKeyITPOYCMCIJPXCB-UHFFFAOYSA-N
XLogP1.46
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-methoxyphenyl)piperidin-1-yl]butanehydrazide
CID 54235113
N-carbamoyl-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide
CID 47091691
2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 94797807
2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide
CID 51103994
3-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-amine
CID 94689546
2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-prop-2-enylacetamide
CID 16667986
1-[3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propyl]imidazole
CID 75483244
N-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 136580152
4-hydroxy-1-[4-(4-methoxyphenyl)piperidin-1-yl]butan-1-one
CID 110480304
5-[4-(4-methoxyphenyl)piperidin-1-yl]pentanenitrile
CID 71985476
3-[4-(4-methoxyphenyl)piperidin-1-yl]-3-oxopropanoic acid
CID 110480149
4-[2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridine
CID 124591492

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]butanamide?
The IUPAC name of N-carbamoyl-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]butanamide (CID 122132528) is N-carbamoyl-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]butanamide.
What is the SMILES notation for N-carbamoyl-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]butanamide?
The canonical SMILES for N-carbamoyl-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]butanamide is COc1ccc(C2CCN(CCCC(=O)NC(N)=O)C2)cc1.
What is the InChIKey of N-carbamoyl-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]butanamide?
The InChIKey is ITPOYCMCIJPXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-22-14-6-4-12(5-7-14)13-8-10-19(11-13)9-2-3-15(20)18-16(17)21/h4-7,13H,2-3,8-11H2,1H3,(H3,17,18,20,21).
What are the key properties of N-carbamoyl-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]butanamide?
N-carbamoyl-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]butanamide has a molecular weight of 305.38 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]butanamide is sourced from PubChem (CID 122132528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).