N-(2-cyanophenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide

C16H21N3O — CID 63864973

IUPACN-(2-cyanophenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
SMILESCC1CC1CN(C)CCC(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H21N3O/c1-12-9-14(12)11-19(2)8-7-16(20)18-15-6-4-3-5-13(15)10-17/h3-6,12,14H,7-9,11H2,1-2H3,(H,18,20)
InChIKeyRTQKVIMWUHJTTC-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.47
Rot. Bonds6

About N-(2-cyanophenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide

N-(2-cyanophenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide (PubChem CID 63864973) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
PubChem CID63864973
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(2-cyanophenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
SMILESCC1CC1CN(C)CCC(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H21N3O/c1-12-9-14(12)11-19(2)8-7-16(20)18-15-6-4-3-5-13(15)10-17/h3-6,12,14H,7-9,11H2,1-2H3,(H,18,20)
InChIKeyRTQKVIMWUHJTTC-UHFFFAOYSA-N
XLogP2.47
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

N-(2-cyanophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
CID 63866750
N-(2-cyanophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63694009
N-(2-cyanophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107199658
N-(2-cyanophenyl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 43264184
3-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)propanamide
CID 55482813
N-(2-cyanophenyl)-3-[methyl(2-methylbutyl)amino]propanamide
CID 43295810
N-(2-cyanophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide
CID 37465986
3-[acetyl(cycloheptyl)amino]-N-(2-cyanophenyl)propanamide
CID 113122793
N-(2-cyanophenyl)-2-[methyl-(2-methylcyclohexyl)amino]acetamide
CID 60733325
N-(2-cyanophenyl)-2-[cycloheptyl(methyl)amino]acetamide
CID 16577691
3-[acetyl(butan-2-yl)amino]-N-(2-cyanophenyl)propanamide
CID 113116297
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide?
The IUPAC name of N-(2-cyanophenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide (CID 63864973) is N-(2-cyanophenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide is CC1CC1CN(C)CCC(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide?
The InChIKey is RTQKVIMWUHJTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-9-14(12)11-19(2)8-7-16(20)18-15-6-4-3-5-13(15)10-17/h3-6,12,14H,7-9,11H2,1-2H3,(H,18,20).
What are the key properties of N-(2-cyanophenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide?
N-(2-cyanophenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide has a molecular weight of 271.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide is sourced from PubChem (CID 63864973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).