2-amino-3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide

C16H25N3O2 — CID 81071617

IUPAC2-amino-3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
SMILESCOCC(N)C(=O)NCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C16H25N3O2/c1-21-12-14(17)16(20)18-11-15(19-9-5-6-10-19)13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12,17H2,1H3,(H,18,20)
InChIKeyNLZCRGDWOPMRIY-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.91
Rot. Bonds7

About 2-amino-3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide

2-amino-3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 81071617) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
PubChem CID81071617
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-amino-3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
SMILESCOCC(N)C(=O)NCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C16H25N3O2/c1-21-12-14(17)16(20)18-11-15(19-9-5-6-10-19)13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12,17H2,1H3,(H,18,20)
InChIKeyNLZCRGDWOPMRIY-UHFFFAOYSA-N
XLogP0.91
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride
CID 119831434
2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methoxypropanamide
CID 81088845
2-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 119831373
2-amino-3-methoxy-N-(2-phenylpropyl)propanamide
CID 81089279
3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119829693
2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 103514779
3-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 119831385
1-(2-methoxy-1-phenylethyl)pyrrolidine
CID 59124240
2-(dimethylamino)-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 47839657
3-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119849317
ethyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-phenylpropanoate
CID 120990918
(2S)-2-amino-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylpentanamide
CID 119832228

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of 2-amino-3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide (CID 81071617) is 2-amino-3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide is COCC(N)C(=O)NCC(c1ccccc1)N1CCCC1.
What is the InChIKey of 2-amino-3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is NLZCRGDWOPMRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-21-12-14(17)16(20)18-11-15(19-9-5-6-10-19)13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12,17H2,1H3,(H,18,20).
What are the key properties of 2-amino-3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide?
2-amino-3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 291.40 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 81071617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).