N-(3-cyanophenyl)-3-(ethylamino)-2-methylpropanamide

C13H17N3O — CID 62853412

IUPACN-(3-cyanophenyl)-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C13H17N3O/c1-3-15-9-10(2)13(17)16-12-6-4-5-11(7-12)8-14/h4-7,10,15H,3,9H2,1-2H3,(H,16,17)
InChIKeyDMKVIOUILLDHMM-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.74
Rot. Bonds5

About N-(3-cyanophenyl)-3-(ethylamino)-2-methylpropanamide

N-(3-cyanophenyl)-3-(ethylamino)-2-methylpropanamide (PubChem CID 62853412) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(ethylamino)-2-methylpropanamide
PubChem CID62853412
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(3-cyanophenyl)-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C13H17N3O/c1-3-15-9-10(2)13(17)16-12-6-4-5-11(7-12)8-14/h4-7,10,15H,3,9H2,1-2H3,(H,16,17)
InChIKeyDMKVIOUILLDHMM-UHFFFAOYSA-N
XLogP1.74
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-3-(ethylamino)-2-methylpropanamide
CID 62851264
N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271245
(2S)-2-amino-N-(3-cyanophenyl)propanamide
CID 22690609
N-(3-cyanophenyl)-2-(diethylamino)propanamide
CID 43176773
N-(3-cyanophenyl)-2-ethoxypropanamide
CID 43187565
6-amino-N-(3-cyanophenyl)-2-methylheptanamide
CID 65292842
2-butan-2-ylsulfinyl-N-(3-cyanophenyl)propanamide
CID 64690055
N-[2-(3-cyanoanilino)-2-oxoethyl]-2-methylbutanamide
CID 55939858
3-[[3-(ethylamino)-2-methylpropanoyl]amino]benzoic acid
CID 62852213
2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide
CID 42911942
N-(3-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide
CID 43269554
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-ethylbenzoate
CID 7775585

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-(3-cyanophenyl)-3-(ethylamino)-2-methylpropanamide (CID 62853412) is N-(3-cyanophenyl)-3-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(ethylamino)-2-methylpropanamide is CCNCC(C)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-(ethylamino)-2-methylpropanamide?
The InChIKey is DMKVIOUILLDHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-15-9-10(2)13(17)16-12-6-4-5-11(7-12)8-14/h4-7,10,15H,3,9H2,1-2H3,(H,16,17).
What are the key properties of N-(3-cyanophenyl)-3-(ethylamino)-2-methylpropanamide?
N-(3-cyanophenyl)-3-(ethylamino)-2-methylpropanamide has a molecular weight of 231.30 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 62853412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).