N-(2-cyanophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide

C16H21N3O — CID 63866750

IUPACN-(2-cyanophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
SMILESCC1CC1CN(C)C(C)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H21N3O/c1-11-8-14(11)10-19(3)12(2)16(20)18-15-7-5-4-6-13(15)9-17/h4-7,11-12,14H,8,10H2,1-3H3,(H,18,20)
InChIKeyNPQBNGHMROGJCI-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.47
Rot. Bonds5

About N-(2-cyanophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide

N-(2-cyanophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide (PubChem CID 63866750) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
PubChem CID63866750
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(2-cyanophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
SMILESCC1CC1CN(C)C(C)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H21N3O/c1-11-8-14(11)10-19(3)12(2)16(20)18-15-7-5-4-6-13(15)9-17/h4-7,11-12,14H,8,10H2,1-3H3,(H,18,20)
InChIKeyNPQBNGHMROGJCI-UHFFFAOYSA-N
XLogP2.47
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide?
The IUPAC name of N-(2-cyanophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide (CID 63866750) is N-(2-cyanophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide is CC1CC1CN(C)C(C)C(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide?
The InChIKey is NPQBNGHMROGJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-8-14(11)10-19(3)12(2)16(20)18-15-7-5-4-6-13(15)9-17/h4-7,11-12,14H,8,10H2,1-3H3,(H,18,20).
What are the key properties of N-(2-cyanophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide?
N-(2-cyanophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide has a molecular weight of 271.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide is sourced from PubChem (CID 63866750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).