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

C17H27N3O2 — CID 120595471

IUPAC4-amino-3-methoxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)butanamide
SMILESCOC(CN)CC(=O)NC(CN1CCCC1)c1ccccc1
InChIInChI=1S/C17H27N3O2/c1-22-15(12-18)11-17(21)19-16(13-20-9-5-6-10-20)14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13,18H2,1H3,(H,19,21)
InChIKeyQOHCHQRDOVNCBR-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.30
Rot. Bonds8

About 4-amino-3-methoxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)butanamide

4-amino-3-methoxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)butanamide (PubChem CID 120595471) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)butanamide
PubChem CID120595471
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name4-amino-3-methoxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)butanamide
SMILESCOC(CN)CC(=O)NC(CN1CCCC1)c1ccccc1
InChIInChI=1S/C17H27N3O2/c1-22-15(12-18)11-17(21)19-16(13-20-9-5-6-10-20)14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13,18H2,1H3,(H,19,21)
InChIKeyQOHCHQRDOVNCBR-UHFFFAOYSA-N
XLogP1.30
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-(3-methyl-1-phenylbutyl)butanamide
CID 103154671
4-amino-N-(2-cyclohexyl-1-phenylethyl)-3-methoxybutanamide
CID 120591337
4-amino-3-methoxy-N-(2-phenoxy-1-phenylethyl)butanamide
CID 120592001
methyl 4-[(4-amino-3-methoxybutanoyl)amino]-4-phenylbutanoate
CID 120591892
3-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride
CID 119953137
2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 57190770
4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120591726
N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide
CID 119851531
1-(1-hydroxypropan-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 110892901
2-[3-oxo-3-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propyl]benzoic acid
CID 57078839
4-amino-N-[(4-fluorophenyl)-phenylmethyl]-3-methoxybutanamide;hydrochloride
CID 120588465
2-(2,4-dioxopyrimidin-1-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 134050105

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)butanamide?
The IUPAC name of 4-amino-3-methoxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)butanamide (CID 120595471) is 4-amino-3-methoxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)butanamide is COC(CN)CC(=O)NC(CN1CCCC1)c1ccccc1.
What is the InChIKey of 4-amino-3-methoxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)butanamide?
The InChIKey is QOHCHQRDOVNCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-22-15(12-18)11-17(21)19-16(13-20-9-5-6-10-20)14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13,18H2,1H3,(H,19,21).
What are the key properties of 4-amino-3-methoxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)butanamide?
4-amino-3-methoxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)butanamide has a molecular weight of 305.42 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)butanamide is sourced from PubChem (CID 120595471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).