2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-phenylpropanamide

C15H23N3O — CID 116653105

IUPAC2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)N(C)C(CN)C1CC1
InChIInChI=1S/C15H23N3O/c1-11(18(2)14(10-16)12-8-9-12)15(19)17-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10,16H2,1-2H3,(H,17,19)
InChIKeyMBQJDSOXPSGPHE-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.68
Rot. Bonds6

About 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-phenylpropanamide

2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-phenylpropanamide (PubChem CID 116653105) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-phenylpropanamide
PubChem CID116653105
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)N(C)C(CN)C1CC1
InChIInChI=1S/C15H23N3O/c1-11(18(2)14(10-16)12-8-9-12)15(19)17-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10,16H2,1-2H3,(H,17,19)
InChIKeyMBQJDSOXPSGPHE-UHFFFAOYSA-N
XLogP1.68
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylpropanamide
CID 113426304
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-butan-2-ylpropanamide
CID 116652512
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(methylcarbamoyl)propanamide
CID 116652580
2-[2-aminoethyl(cyclopentyl)amino]-N-phenylpropanamide
CID 63761281
2-[1-cyanopropan-2-yl(methyl)amino]-N-phenylpropanamide
CID 63224513
(2R)-2-amino-N-phenylpropanamide
CID 10607114
N-(2-amino-1-cyclopropylethyl)-2-(phenylcarbamoylamino)propanamide
CID 119615052
N-(2-aminophenyl)-2-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43568725
1-(2-amino-1-cyclopropylethyl)-3-benzyl-1-methylurea
CID 107654315
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-phenylpropanamide;hydrochloride
CID 119929008
2-[methyl(2-piperidin-4-ylethyl)amino]-N-phenylpropanamide
CID 66273436
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(1-phenylethyl)acetamide
CID 116653073

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-phenylpropanamide?
The IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-phenylpropanamide (CID 116653105) is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-phenylpropanamide.
What is the SMILES notation for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-phenylpropanamide?
The canonical SMILES for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-phenylpropanamide is CC(C(=O)Nc1ccccc1)N(C)C(CN)C1CC1.
What is the InChIKey of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-phenylpropanamide?
The InChIKey is MBQJDSOXPSGPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(18(2)14(10-16)12-8-9-12)15(19)17-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10,16H2,1-2H3,(H,17,19).
What are the key properties of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-phenylpropanamide?
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-phenylpropanamide has a molecular weight of 261.37 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-phenylpropanamide is sourced from PubChem (CID 116653105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).