N-(3-cyanophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide

C15H21N3O3 — CID 115666864

IUPACN-(3-cyanophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide
SMILESCOCCN(CCO)CCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H21N3O3/c1-21-10-8-18(7-9-19)6-5-15(20)17-14-4-2-3-13(11-14)12-16/h2-4,11,19H,5-10H2,1H3,(H,17,20)
InChIKeyQKVILXHXOZWPCX-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.83
Rot. Bonds9

About N-(3-cyanophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide

N-(3-cyanophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide (PubChem CID 115666864) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide
PubChem CID115666864
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(3-cyanophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide
SMILESCOCCN(CCO)CCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H21N3O3/c1-21-10-8-18(7-9-19)6-5-15(20)17-14-4-2-3-13(11-14)12-16/h2-4,11,19H,5-10H2,1H3,(H,17,20)
InChIKeyQKVILXHXOZWPCX-UHFFFAOYSA-N
XLogP0.83
TPSA85.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide
CID 111436409
N-(3-cyanophenyl)-4-(2-methoxyethylsulfanyl)butanamide
CID 43446104
N-(3-cyanophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 80712090
N-(3-cyanophenyl)-4-(3-methoxypropylsulfinyl)butanamide
CID 64690023
N-(3-cyanophenyl)-3-[methyl(2-phenoxyethyl)amino]propanamide
CID 33477524
N-(3-cyanophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propanamide
CID 115666850
3-(tert-butylamino)-N-(3-cyanophenyl)propanamide
CID 60716477
3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide
CID 62022676
N-(3-aminophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide
CID 61424662
N-[3-(4-hydroxybut-1-ynyl)phenyl]-3-methoxypropanamide
CID 62590238
[3-(3-cyanoanilino)-3-oxopropyl]phosphonic acid
CID 125478329
3-(3-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113146923

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide (CID 115666864) is N-(3-cyanophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide is COCCN(CCO)CCC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide?
The InChIKey is QKVILXHXOZWPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-21-10-8-18(7-9-19)6-5-15(20)17-14-4-2-3-13(11-14)12-16/h2-4,11,19H,5-10H2,1H3,(H,17,20).
What are the key properties of N-(3-cyanophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide?
N-(3-cyanophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide has a molecular weight of 291.35 g/mol, XLogP of 0.83, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide is sourced from PubChem (CID 115666864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).