3-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methyl-3-phenylpropanamide

C18H27N3O — CID 119900314

IUPAC3-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)NC1CC(C)N(C2CC2)C1)C(N)c1ccccc1
InChIInChI=1S/C18H27N3O/c1-12-10-15(11-21(12)16-8-9-16)20-18(22)13(2)17(19)14-6-4-3-5-7-14/h3-7,12-13,15-17H,8-11,19H2,1-2H3,(H,20,22)
InChIKeyMMCADLHLKXYOIT-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.06
Rot. Bonds5

About 3-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methyl-3-phenylpropanamide

3-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methyl-3-phenylpropanamide (PubChem CID 119900314) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methyl-3-phenylpropanamide
PubChem CID119900314
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name3-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)NC1CC(C)N(C2CC2)C1)C(N)c1ccccc1
InChIInChI=1S/C18H27N3O/c1-12-10-15(11-21(12)16-8-9-16)20-18(22)13(2)17(19)14-6-4-3-5-7-14/h3-7,12-13,15-17H,8-11,19H2,1-2H3,(H,20,22)
InChIKeyMMCADLHLKXYOIT-UHFFFAOYSA-N
XLogP2.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(1,2-dimethylpiperidin-4-yl)-2-methyl-3-phenylpropanamide
CID 81494459
(2S)-2-amino-N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-3-phenylpropanamide
CID 124693344
3-amino-2-methyl-N-(3-methylcyclobutyl)-3-phenylpropanamide;hydrochloride
CID 119790806
2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-phenylpropanamide
CID 120597505
2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-1-phenylethanol
CID 115706037
3-amino-2-methyl-N-(2-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119676490
3-amino-2-methyl-N-(4-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119802914
3-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 119755729
3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119854205
1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111976786
1-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 99698318
1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 111976784

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methyl-3-phenylpropanamide (CID 119900314) is 3-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methyl-3-phenylpropanamide is CC(C(=O)NC1CC(C)N(C2CC2)C1)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methyl-3-phenylpropanamide?
The InChIKey is MMCADLHLKXYOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-12-10-15(11-21(12)16-8-9-16)20-18(22)13(2)17(19)14-6-4-3-5-7-14/h3-7,12-13,15-17H,8-11,19H2,1-2H3,(H,20,22).
What are the key properties of 3-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methyl-3-phenylpropanamide?
3-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methyl-3-phenylpropanamide has a molecular weight of 301.43 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 119900314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).