N-(2-amino-1-cyclopropylethyl)-N-methyl-3-(2-methylphenyl)propanamide

C16H24N2O — CID 116651728

IUPACN-(2-amino-1-cyclopropylethyl)-N-methyl-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)N(C)C(CN)C1CC1
InChIInChI=1S/C16H24N2O/c1-12-5-3-4-6-13(12)9-10-16(19)18(2)15(11-17)14-7-8-14/h3-6,14-15H,7-11,17H2,1-2H3
InChIKeyNQWXHTHLZAJTET-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.12
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-N-methyl-3-(2-methylphenyl)propanamide

N-(2-amino-1-cyclopropylethyl)-N-methyl-3-(2-methylphenyl)propanamide (PubChem CID 116651728) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-N-methyl-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-N-methyl-3-(2-methylphenyl)propanamide
PubChem CID116651728
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(2-amino-1-cyclopropylethyl)-N-methyl-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)N(C)C(CN)C1CC1
InChIInChI=1S/C16H24N2O/c1-12-5-3-4-6-13(12)9-10-16(19)18(2)15(11-17)14-7-8-14/h3-6,14-15H,7-11,17H2,1-2H3
InChIKeyNQWXHTHLZAJTET-UHFFFAOYSA-N
XLogP2.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-N-methyl-3-(2-methylphenyl)propanamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-N-methyl-3-(2-methylphenyl)propanamide (CID 116651728) is N-(2-amino-1-cyclopropylethyl)-N-methyl-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-N-methyl-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-N-methyl-3-(2-methylphenyl)propanamide is Cc1ccccc1CCC(=O)N(C)C(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-N-methyl-3-(2-methylphenyl)propanamide?
The InChIKey is NQWXHTHLZAJTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-5-3-4-6-13(12)9-10-16(19)18(2)15(11-17)14-7-8-14/h3-6,14-15H,7-11,17H2,1-2H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-N-methyl-3-(2-methylphenyl)propanamide?
N-(2-amino-1-cyclopropylethyl)-N-methyl-3-(2-methylphenyl)propanamide has a molecular weight of 260.38 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-N-methyl-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 116651728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).