2-[2-cyanopropyl(ethyl)amino]-N-(2-methoxyphenyl)acetamide

C15H21N3O2 — CID 60674387

IUPAC2-[2-cyanopropyl(ethyl)amino]-N-(2-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)CC(C)C#N
InChIInChI=1S/C15H21N3O2/c1-4-18(10-12(2)9-16)11-15(19)17-13-7-5-6-8-14(13)20-3/h5-8,12H,4,10-11H2,1-3H3,(H,17,19)
InChIKeyAPFGTORKBUMOMZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.12
Rot. Bonds7

About 2-[2-cyanopropyl(ethyl)amino]-N-(2-methoxyphenyl)acetamide

2-[2-cyanopropyl(ethyl)amino]-N-(2-methoxyphenyl)acetamide (PubChem CID 60674387) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[2-cyanopropyl(ethyl)amino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-cyanopropyl(ethyl)amino]-N-(2-methoxyphenyl)acetamide
PubChem CID60674387
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[2-cyanopropyl(ethyl)amino]-N-(2-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)CC(C)C#N
InChIInChI=1S/C15H21N3O2/c1-4-18(10-12(2)9-16)11-15(19)17-13-7-5-6-8-14(13)20-3/h5-8,12H,4,10-11H2,1-3H3,(H,17,19)
InChIKeyAPFGTORKBUMOMZ-UHFFFAOYSA-N
XLogP2.12
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(4-cyanophenoxy)-2-hydroxypropyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 42926027
2-[1-cyanopropan-2-yl(methyl)amino]-N-(2-methoxyphenyl)acetamide
CID 55175904
N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 9029924
2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)acetamide
CID 4882753
2-[ethyl-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 46561149
2-[[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9030121
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029907
3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)propanamide
CID 55482070
propan-2-yl 4-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzoate
CID 9029476
2-[bis(2-hydroxyethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 18870897
3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]butanoic acid
CID 62827296
2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide
CID 78820994

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanopropyl(ethyl)amino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-cyanopropyl(ethyl)amino]-N-(2-methoxyphenyl)acetamide (CID 60674387) is 2-[2-cyanopropyl(ethyl)amino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-cyanopropyl(ethyl)amino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-cyanopropyl(ethyl)amino]-N-(2-methoxyphenyl)acetamide is CCN(CC(=O)Nc1ccccc1OC)CC(C)C#N.
What is the InChIKey of 2-[2-cyanopropyl(ethyl)amino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is APFGTORKBUMOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-18(10-12(2)9-16)11-15(19)17-13-7-5-6-8-14(13)20-3/h5-8,12H,4,10-11H2,1-3H3,(H,17,19).
What are the key properties of 2-[2-cyanopropyl(ethyl)amino]-N-(2-methoxyphenyl)acetamide?
2-[2-cyanopropyl(ethyl)amino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanopropyl(ethyl)amino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 60674387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).