2-(3-cyano-N-methylanilino)-N-(3-methoxypropyl)propanamide

C15H21N3O2 — CID 62982263

IUPAC2-(3-cyano-N-methylanilino)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)N(C)c1cccc(C#N)c1
InChIInChI=1S/C15H21N3O2/c1-12(15(19)17-8-5-9-20-3)18(2)14-7-4-6-13(10-14)11-16/h4,6-7,10,12H,5,8-9H2,1-3H3,(H,17,19)
InChIKeyHOKZTVYMQKNXCE-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.54
Rot. Bonds7

About 2-(3-cyano-N-methylanilino)-N-(3-methoxypropyl)propanamide

2-(3-cyano-N-methylanilino)-N-(3-methoxypropyl)propanamide (PubChem CID 62982263) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(3-cyano-N-methylanilino)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(3-cyano-N-methylanilino)-N-(3-methoxypropyl)propanamide
PubChem CID62982263
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(3-cyano-N-methylanilino)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)N(C)c1cccc(C#N)c1
InChIInChI=1S/C15H21N3O2/c1-12(15(19)17-8-5-9-20-3)18(2)14-7-4-6-13(10-14)11-16/h4,6-7,10,12H,5,8-9H2,1-3H3,(H,17,19)
InChIKeyHOKZTVYMQKNXCE-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-carbamothioyl-N-methylanilino)-N-(3-methoxypropyl)propanamide
CID 62970203
2-(3-cyano-N-methylanilino)-N-(methylcarbamoyl)propanamide
CID 55141191
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
N-(3-cyanophenyl)-4-methoxy-3-(3-methoxypropoxy)-N-methylbenzamide
CID 70325221
N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113072223
3-cyano-N-[3-(N-methylanilino)propyl]benzamide
CID 24708607
3-[3-(2-methoxyethoxy)propyl-methylamino]benzonitrile
CID 103409785
2-[2-[[(3-cyanophenyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79463565
methyl 2-(N-amino-3-cyanoanilino)acetate
CID 54460083
2-(4-cyano-N-methylanilino)-N-(2-methylpropyl)propanamide
CID 62983295
(2S)-N-(3-methoxypropyl)-2-(N-methylsulfonylanilino)propanamide
CID 2289786
2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide
CID 62404738

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-N-methylanilino)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-(3-cyano-N-methylanilino)-N-(3-methoxypropyl)propanamide (CID 62982263) is 2-(3-cyano-N-methylanilino)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(3-cyano-N-methylanilino)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-(3-cyano-N-methylanilino)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)N(C)c1cccc(C#N)c1.
What is the InChIKey of 2-(3-cyano-N-methylanilino)-N-(3-methoxypropyl)propanamide?
The InChIKey is HOKZTVYMQKNXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12(15(19)17-8-5-9-20-3)18(2)14-7-4-6-13(10-14)11-16/h4,6-7,10,12H,5,8-9H2,1-3H3,(H,17,19).
What are the key properties of 2-(3-cyano-N-methylanilino)-N-(3-methoxypropyl)propanamide?
2-(3-cyano-N-methylanilino)-N-(3-methoxypropyl)propanamide has a molecular weight of 275.35 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-N-methylanilino)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 62982263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).