4-amino-3-methoxy-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]butanamide

C16H25N3O3 — CID 120597287

IUPAC4-amino-3-methoxy-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]butanamide
SMILESCOc1ccccc1N1CCC(NC(=O)CC(CN)OC)C1
InChIInChI=1S/C16H25N3O3/c1-21-13(10-17)9-16(20)18-12-7-8-19(11-12)14-5-3-4-6-15(14)22-2/h3-6,12-13H,7-11,17H2,1-2H3,(H,18,20)
InChIKeyKXYWVDJBNKYYCH-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.75
Rot. Bonds7

About 4-amino-3-methoxy-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]butanamide

4-amino-3-methoxy-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]butanamide (PubChem CID 120597287) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]butanamide
PubChem CID120597287
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name4-amino-3-methoxy-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]butanamide
SMILESCOc1ccccc1N1CCC(NC(=O)CC(CN)OC)C1
InChIInChI=1S/C16H25N3O3/c1-21-13(10-17)9-16(20)18-12-7-8-19(11-12)14-5-3-4-6-15(14)22-2/h3-6,12-13H,7-11,17H2,1-2H3,(H,18,20)
InChIKeyKXYWVDJBNKYYCH-UHFFFAOYSA-N
XLogP0.75
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-methoxybutanamide
CID 120597461
4-amino-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-methoxybutanamide;dihydrochloride
CID 120597456
2-(cyclopropylmethylamino)-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 119895364
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119895369
4-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-methoxybutanamide;dihydrochloride
CID 120596472
3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride
CID 120504219
(3S)-N-[1-(2-methoxyphenyl)piperidin-4-yl]-3-methylsulfanylbutanamide
CID 124614264
2,2,2-trifluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 136514261
3-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]butanamide
CID 119873215
2-[2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119161036
(2S)-2-amino-N-[1-(2-methoxyphenyl)piperidin-4-yl]butanamide
CID 119866158
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 71921034

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]butanamide (CID 120597287) is 4-amino-3-methoxy-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]butanamide is COc1ccccc1N1CCC(NC(=O)CC(CN)OC)C1.
What is the InChIKey of 4-amino-3-methoxy-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]butanamide?
The InChIKey is KXYWVDJBNKYYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-21-13(10-17)9-16(20)18-12-7-8-19(11-12)14-5-3-4-6-15(14)22-2/h3-6,12-13H,7-11,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-3-methoxy-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]butanamide?
4-amino-3-methoxy-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]butanamide has a molecular weight of 307.39 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]butanamide is sourced from PubChem (CID 120597287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).