4-amino-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]butanamide

C17H27N3O3 — CID 119897168

IUPAC4-amino-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]butanamide
SMILESCOc1cc(CN2CCC(NC(=O)CCCN)C2)cc(OC)c1
InChIInChI=1S/C17H27N3O3/c1-22-15-8-13(9-16(10-15)23-2)11-20-7-5-14(12-20)19-17(21)4-3-6-18/h8-10,14H,3-7,11-12,18H2,1-2H3,(H,19,21)
InChIKeyGPFQYEJJUNESQK-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.13
Rot. Bonds8

About 4-amino-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]butanamide

4-amino-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]butanamide (PubChem CID 119897168) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-amino-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]butanamide.

Molecular Properties

Compound Name4-amino-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]butanamide
PubChem CID119897168
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name4-amino-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]butanamide
SMILESCOc1cc(CN2CCC(NC(=O)CCCN)C2)cc(OC)c1
InChIInChI=1S/C17H27N3O3/c1-22-15-8-13(9-16(10-15)23-2)11-20-7-5-14(12-20)19-17(21)4-3-6-18/h8-10,14H,3-7,11-12,18H2,1-2H3,(H,19,21)
InChIKeyGPFQYEJJUNESQK-UHFFFAOYSA-N
XLogP1.13
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminophenyl)-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]acetamide;dihydrochloride
CID 119897115
2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]acetamide
CID 166301892
1-[(3S)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-3-[(1S,2S)-2-methylcyclopropyl]urea
CID 124777389
N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 71921942
N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide
CID 119897156
4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625
N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 163351114
4-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]butanamide;dihydrochloride
CID 119899114
3-(3-methoxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 91838188
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
2-[[butylamino-[[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110045313
N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 167940401

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]butanamide?
The IUPAC name of 4-amino-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]butanamide (CID 119897168) is 4-amino-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]butanamide.
What is the SMILES notation for 4-amino-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]butanamide?
The canonical SMILES for 4-amino-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]butanamide is COc1cc(CN2CCC(NC(=O)CCCN)C2)cc(OC)c1.
What is the InChIKey of 4-amino-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]butanamide?
The InChIKey is GPFQYEJJUNESQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-22-15-8-13(9-16(10-15)23-2)11-20-7-5-14(12-20)19-17(21)4-3-6-18/h8-10,14H,3-7,11-12,18H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]butanamide?
4-amino-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]butanamide has a molecular weight of 321.42 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]butanamide is sourced from PubChem (CID 119897168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).