2-(4-cyanoanilino)-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide

C17H21N3O — CID 56823793

IUPAC2-(4-cyanoanilino)-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide
SMILESCC(C1CC1)N(C(=O)CNc1ccc(C#N)cc1)C1CC1
InChIInChI=1S/C17H21N3O/c1-12(14-4-5-14)20(16-8-9-16)17(21)11-19-15-6-2-13(10-18)3-7-15/h2-3,6-7,12,14,16,19H,4-5,8-9,11H2,1H3
InChIKeyLHIQFTUDVRNLSC-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.76
Rot. Bonds6

About 2-(4-cyanoanilino)-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide

2-(4-cyanoanilino)-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide (PubChem CID 56823793) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide
PubChem CID56823793
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(4-cyanoanilino)-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide
SMILESCC(C1CC1)N(C(=O)CNc1ccc(C#N)cc1)C1CC1
InChIInChI=1S/C17H21N3O/c1-12(14-4-5-14)20(16-8-9-16)17(21)11-19-15-6-2-13(10-18)3-7-15/h2-3,6-7,12,14,16,19H,4-5,8-9,11H2,1H3
InChIKeyLHIQFTUDVRNLSC-UHFFFAOYSA-N
XLogP2.76
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Prilocaine
CID 4906
(2S,4S)-1-(2-(1-(4-cyano-3,5-difluorophenyl)piperidin-4-ylamino)acetyl)-4-fluoropyrrolidine-2-carbonitrile
CID 10296151
(S)-1-[(2S,4S)-4-(4-Cyano-phenylamino)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carbonitrile
CID 44400485
N-(4-cyanophenyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 4879932
N'-(4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 3107635
N-(Trifluoroacetyl)-L-Valyl-N-[4-(Trifluoromethyl)phenyl]-L-Alaninamide
CID 445372
2-[[2-(2-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2462073
N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 2507537
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 2539057
(2S,4S)-1-(2-(1-(4-cyanophenyl)piperidin-4-ylamino)acetyl)-4-fluoropyrrolidine-2-carbonitrile
CID 10111068
Acetamide, N,N-dimethyl-2-(o-toluidino)-
CID 59815
N-cyclohexyl-N'-(4-methylphenyl)ethanediamide
CID 2271538

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide?
The IUPAC name of 2-(4-cyanoanilino)-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide (CID 56823793) is 2-(4-cyanoanilino)-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide is CC(C1CC1)N(C(=O)CNc1ccc(C#N)cc1)C1CC1.
What is the InChIKey of 2-(4-cyanoanilino)-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide?
The InChIKey is LHIQFTUDVRNLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12(14-4-5-14)20(16-8-9-16)17(21)11-19-15-6-2-13(10-18)3-7-15/h2-3,6-7,12,14,16,19H,4-5,8-9,11H2,1H3.
What are the key properties of 2-(4-cyanoanilino)-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide?
2-(4-cyanoanilino)-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide has a molecular weight of 283.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide is sourced from PubChem (CID 56823793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).