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

C16H23N3O2 — CID 80712090

IUPACN-(3-cyanophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
SMILESCC(C)OCCN(C)CCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C16H23N3O2/c1-13(2)21-10-9-19(3)8-7-16(20)18-15-6-4-5-14(11-15)12-17/h4-6,11,13H,7-10H2,1-3H3,(H,18,20)
InChIKeyQDNFFULWYCPXIN-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.24
Rot. Bonds8

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

N-(3-cyanophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide (PubChem CID 80712090) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
PubChem CID80712090
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(3-cyanophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
SMILESCC(C)OCCN(C)CCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C16H23N3O2/c1-13(2)21-10-9-19(3)8-7-16(20)18-15-6-4-5-14(11-15)12-17/h4-6,11,13H,7-10H2,1-3H3,(H,18,20)
InChIKeyQDNFFULWYCPXIN-UHFFFAOYSA-N
XLogP2.24
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide (CID 80712090) is N-(3-cyanophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide is CC(C)OCCN(C)CCC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide?
The InChIKey is QDNFFULWYCPXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13(2)21-10-9-19(3)8-7-16(20)18-15-6-4-5-14(11-15)12-17/h4-6,11,13H,7-10H2,1-3H3,(H,18,20).
What are the key properties of N-(3-cyanophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide?
N-(3-cyanophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide has a molecular weight of 289.38 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide is sourced from PubChem (CID 80712090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).