4-(3-methoxypyrrolidin-1-yl)-2-(methylamino)-2-phenylbutanamide

C16H25N3O2 — CID 103538046

IUPAC4-(3-methoxypyrrolidin-1-yl)-2-(methylamino)-2-phenylbutanamide
SMILESCNC(CCN1CCC(OC)C1)(C(N)=O)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-18-16(15(17)20,13-6-4-3-5-7-13)9-11-19-10-8-14(12-19)21-2/h3-7,14,18H,8-12H2,1-2H3,(H2,17,20)
InChIKeyBLFHTSWVLWBOPK-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.70
Rot. Bonds7

About 4-(3-methoxypyrrolidin-1-yl)-2-(methylamino)-2-phenylbutanamide

4-(3-methoxypyrrolidin-1-yl)-2-(methylamino)-2-phenylbutanamide (PubChem CID 103538046) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-(3-methoxypyrrolidin-1-yl)-2-(methylamino)-2-phenylbutanamide.

Molecular Properties

Compound Name4-(3-methoxypyrrolidin-1-yl)-2-(methylamino)-2-phenylbutanamide
PubChem CID103538046
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-(3-methoxypyrrolidin-1-yl)-2-(methylamino)-2-phenylbutanamide
SMILESCNC(CCN1CCC(OC)C1)(C(N)=O)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-18-16(15(17)20,13-6-4-3-5-7-13)9-11-19-10-8-14(12-19)21-2/h3-7,14,18H,8-12H2,1-2H3,(H2,17,20)
InChIKeyBLFHTSWVLWBOPK-UHFFFAOYSA-N
XLogP0.70
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5R)-1-acetyl-5-benzyl-N-(2-methoxyethyl)-2-methyl-2H-pyrrole-5-carboxamide
CID 5459735
2,4-Imidazolidinedione, 3-(3-((1,1-dimethylethyl)amino)-2-hydroxypropyl)-5,5-diphenyl-, monohydrochloride
CID 3043725
N-(3-ethoxypropyl)-2-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 4644536
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 16284001
3-[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2998588
5-Methyl-3-[2-(4-morpholinyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 2999402
N-[2-[(3-ethoxypropyl)amino]-1-(4-methylphenyl)-2-oxoethyl]-5-oxoprolinamide
CID 3245254
3-Phenyl-3-piperidin-1-ylpyrrolidin-2-one
CID 53248726
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 2586799
1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46363700
1-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46363710
1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46363720

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypyrrolidin-1-yl)-2-(methylamino)-2-phenylbutanamide?
The IUPAC name of 4-(3-methoxypyrrolidin-1-yl)-2-(methylamino)-2-phenylbutanamide (CID 103538046) is 4-(3-methoxypyrrolidin-1-yl)-2-(methylamino)-2-phenylbutanamide.
What is the SMILES notation for 4-(3-methoxypyrrolidin-1-yl)-2-(methylamino)-2-phenylbutanamide?
The canonical SMILES for 4-(3-methoxypyrrolidin-1-yl)-2-(methylamino)-2-phenylbutanamide is CNC(CCN1CCC(OC)C1)(C(N)=O)c1ccccc1.
What is the InChIKey of 4-(3-methoxypyrrolidin-1-yl)-2-(methylamino)-2-phenylbutanamide?
The InChIKey is BLFHTSWVLWBOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-18-16(15(17)20,13-6-4-3-5-7-13)9-11-19-10-8-14(12-19)21-2/h3-7,14,18H,8-12H2,1-2H3,(H2,17,20).
What are the key properties of 4-(3-methoxypyrrolidin-1-yl)-2-(methylamino)-2-phenylbutanamide?
4-(3-methoxypyrrolidin-1-yl)-2-(methylamino)-2-phenylbutanamide has a molecular weight of 291.39 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypyrrolidin-1-yl)-2-(methylamino)-2-phenylbutanamide is sourced from PubChem (CID 103538046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).