2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanamide

C16H25N3O — CID 116693857

IUPAC2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanamide
SMILESCC1(C)CCCN1CCC(N)(C(N)=O)c1ccccc1
InChIInChI=1S/C16H25N3O/c1-15(2)9-6-11-19(15)12-10-16(18,14(17)20)13-7-4-3-5-8-13/h3-5,7-8H,6,9-12,18H2,1-2H3,(H2,17,20)
InChIKeyMSPSUXUFMVWYFB-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.59
Rot. Bonds5

About 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanamide

2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanamide (PubChem CID 116693857) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanamide.

Molecular Properties

Compound Name2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanamide
PubChem CID116693857
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanamide
SMILESCC1(C)CCCN1CCC(N)(C(N)=O)c1ccccc1
InChIInChI=1S/C16H25N3O/c1-15(2)9-6-11-19(15)12-10-16(18,14(17)20)13-7-4-3-5-8-13/h3-5,7-8H,6,9-12,18H2,1-2H3,(H2,17,20)
InChIKeyMSPSUXUFMVWYFB-UHFFFAOYSA-N
XLogP1.59
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanenitrile
CID 116692576
2-amino-4-(azocan-1-yl)-2-phenylbutanamide
CID 116693501
2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanamide
CID 63217657
2-amino-4-(4-ethylpiperazin-1-yl)-2-phenylbutanamide
CID 116693503
3-(2,2-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-phenylpropanamide
CID 63217523
2-amino-4-(1-oxo-1,4-thiazinan-4-yl)-2-phenylbutanamide
CID 116693803
2-amino-4-(3-ethylpyrrolidin-1-yl)-2-phenylbutanamide
CID 116693918
4-(2,2-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide
CID 63217659
3-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzoic acid
CID 63219968
2-amino-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-phenylpropanamide
CID 63210905
4-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzoic acid
CID 55220247
2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanamide
CID 116693883

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanamide?
The IUPAC name of 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanamide (CID 116693857) is 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanamide.
What is the SMILES notation for 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanamide?
The canonical SMILES for 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanamide is CC1(C)CCCN1CCC(N)(C(N)=O)c1ccccc1.
What is the InChIKey of 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanamide?
The InChIKey is MSPSUXUFMVWYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-15(2)9-6-11-19(15)12-10-16(18,14(17)20)13-7-4-3-5-8-13/h3-5,7-8H,6,9-12,18H2,1-2H3,(H2,17,20).
What are the key properties of 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanamide?
2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanamide has a molecular weight of 275.40 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanamide is sourced from PubChem (CID 116693857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).