2-amino-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-phenylpropanamide

C16H26N4O — CID 63210905

IUPAC2-amino-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-phenylpropanamide
SMILESCN(CCN1CCCC1)CC(N)(C(N)=O)c1ccccc1
InChIInChI=1S/C16H26N4O/c1-19(11-12-20-9-5-6-10-20)13-16(18,15(17)21)14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-13,18H2,1H3,(H2,17,21)
InChIKeyAQBQNAHIKRQWTB-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.35
Rot. Bonds7

About 2-amino-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-phenylpropanamide

2-amino-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-phenylpropanamide (PubChem CID 63210905) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-amino-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-phenylpropanamide
PubChem CID63210905
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-amino-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-phenylpropanamide
SMILESCN(CCN1CCCC1)CC(N)(C(N)=O)c1ccccc1
InChIInChI=1S/C16H26N4O/c1-19(11-12-20-9-5-6-10-20)13-16(18,15(17)21)14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-13,18H2,1H3,(H2,17,21)
InChIKeyAQBQNAHIKRQWTB-UHFFFAOYSA-N
XLogP0.35
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(azocan-1-yl)-2-phenylbutanamide
CID 116693501
2-amino-4-(4-ethylpiperazin-1-yl)-2-phenylbutanamide
CID 116693503
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
N',2,2-trimethyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 63211260
2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]benzoic acid
CID 104548782
2-amino-4-(1-oxo-1,4-thiazinan-4-yl)-2-phenylbutanamide
CID 116693803
2-ethyl-2-phenyl-4-piperidin-1-ylbutanamide
CID 18110
2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanamide
CID 116693883
2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanamide
CID 116693857
2-amino-4-[methyl(3-methylbutyl)amino]-2-phenylbutanamide
CID 116693835
2-[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]acetohydrazide
CID 105351782
(2S)-2-amino-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 104897872

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-phenylpropanamide?
The IUPAC name of 2-amino-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-phenylpropanamide (CID 63210905) is 2-amino-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-phenylpropanamide?
The canonical SMILES for 2-amino-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-phenylpropanamide is CN(CCN1CCCC1)CC(N)(C(N)=O)c1ccccc1.
What is the InChIKey of 2-amino-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-phenylpropanamide?
The InChIKey is AQBQNAHIKRQWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-19(11-12-20-9-5-6-10-20)13-16(18,15(17)21)14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-13,18H2,1H3,(H2,17,21).
What are the key properties of 2-amino-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-phenylpropanamide?
2-amino-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-phenylpropanamide has a molecular weight of 290.41 g/mol, XLogP of 0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-phenylpropanamide is sourced from PubChem (CID 63210905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).