2-[(2-anilino-2-oxoethyl)amino]-N-cyclopropylpropanamide

C14H19N3O2 — CID 112696312

IUPAC2-[(2-anilino-2-oxoethyl)amino]-N-cyclopropylpropanamide
SMILESCC(NCC(=O)Nc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C14H19N3O2/c1-10(14(19)17-12-7-8-12)15-9-13(18)16-11-5-3-2-4-6-11/h2-6,10,12,15H,7-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyUQWQIWRIMPMKLK-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.88
Rot. Bonds6

About 2-[(2-anilino-2-oxoethyl)amino]-N-cyclopropylpropanamide

2-[(2-anilino-2-oxoethyl)amino]-N-cyclopropylpropanamide (PubChem CID 112696312) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[(2-anilino-2-oxoethyl)amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[(2-anilino-2-oxoethyl)amino]-N-cyclopropylpropanamide
PubChem CID112696312
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[(2-anilino-2-oxoethyl)amino]-N-cyclopropylpropanamide
SMILESCC(NCC(=O)Nc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C14H19N3O2/c1-10(14(19)17-12-7-8-12)15-9-13(18)16-11-5-3-2-4-6-11/h2-6,10,12,15H,7-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyUQWQIWRIMPMKLK-UHFFFAOYSA-N
XLogP0.88
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide
CID 43401445
2-(3,3-dimethylbutan-2-ylamino)-N-phenylacetamide
CID 115626999
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-cyclopropylpropanamide
CID 113248238
N-cyclopropyl-N'-phenylbutanediamide
CID 70314355
2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-N-phenylacetamide
CID 115588967
2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-phenylacetamide
CID 110934385
2-[1-(oxolan-3-yl)ethylamino]-N-phenylacetamide
CID 115713791
2-[[(2S)-5-methylhexan-2-yl]amino]-N-phenylacetamide
CID 95357768
N-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898362
(2S)-2-(benzhydrylamino)-N-cyclopropylpropanamide
CID 7614348
N-cyclopropyl-2-[(2,6-dimethylphenyl)methylamino]propanamide
CID 112700004
2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]amino]-N-phenylacetamide
CID 93103707

Frequently Asked Questions

What is the IUPAC name of 2-[(2-anilino-2-oxoethyl)amino]-N-cyclopropylpropanamide?
The IUPAC name of 2-[(2-anilino-2-oxoethyl)amino]-N-cyclopropylpropanamide (CID 112696312) is 2-[(2-anilino-2-oxoethyl)amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[(2-anilino-2-oxoethyl)amino]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[(2-anilino-2-oxoethyl)amino]-N-cyclopropylpropanamide is CC(NCC(=O)Nc1ccccc1)C(=O)NC1CC1.
What is the InChIKey of 2-[(2-anilino-2-oxoethyl)amino]-N-cyclopropylpropanamide?
The InChIKey is UQWQIWRIMPMKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(14(19)17-12-7-8-12)15-9-13(18)16-11-5-3-2-4-6-11/h2-6,10,12,15H,7-9H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 2-[(2-anilino-2-oxoethyl)amino]-N-cyclopropylpropanamide?
2-[(2-anilino-2-oxoethyl)amino]-N-cyclopropylpropanamide has a molecular weight of 261.32 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-anilino-2-oxoethyl)amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 112696312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).