3-[(2-anilino-2-oxoethyl)amino]-N-propan-2-ylpropanamide

C14H21N3O2 — CID 115586548

IUPAC3-[(2-anilino-2-oxoethyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNCC(=O)Nc1ccccc1
InChIInChI=1S/C14H21N3O2/c1-11(2)16-13(18)8-9-15-10-14(19)17-12-6-4-3-5-7-12/h3-7,11,15H,8-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyJEGFFXOYTDGVHC-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.13
Rot. Bonds7

About 3-[(2-anilino-2-oxoethyl)amino]-N-propan-2-ylpropanamide

3-[(2-anilino-2-oxoethyl)amino]-N-propan-2-ylpropanamide (PubChem CID 115586548) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[(2-anilino-2-oxoethyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(2-anilino-2-oxoethyl)amino]-N-propan-2-ylpropanamide
PubChem CID115586548
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[(2-anilino-2-oxoethyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNCC(=O)Nc1ccccc1
InChIInChI=1S/C14H21N3O2/c1-11(2)16-13(18)8-9-15-10-14(19)17-12-6-4-3-5-7-12/h3-7,11,15H,8-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyJEGFFXOYTDGVHC-UHFFFAOYSA-N
XLogP1.13
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-anilinoacetyl)amino]-N-propan-2-ylpropanamide
CID 112701585
(3R)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylbutanamide
CID 97018627
5-[(2-anilino-2-oxoethyl)amino]pentanamide
CID 106237405
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide
CID 43401445
2-(2-methylsulfonylethylamino)-N-phenylacetamide
CID 54935124
3-[(4-acetamidophenyl)methylamino]-N-propan-2-ylpropanamide
CID 115581419
N-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898362
N-phenyl-2-(2,2,3-trimethylbutylamino)acetamide
CID 114099870
(2R)-5-anilino-2-methyl-5-oxopentanoic acid
CID 976695
5-anilino-2-methyl-5-oxopentanoic acid
CID 2950289
3-[[amino(anilino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 110913325
N-phenyl-3-(1-phenylethylamino)propanamide
CID 109020280

Frequently Asked Questions

What is the IUPAC name of 3-[(2-anilino-2-oxoethyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(2-anilino-2-oxoethyl)amino]-N-propan-2-ylpropanamide (CID 115586548) is 3-[(2-anilino-2-oxoethyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(2-anilino-2-oxoethyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(2-anilino-2-oxoethyl)amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNCC(=O)Nc1ccccc1.
What is the InChIKey of 3-[(2-anilino-2-oxoethyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is JEGFFXOYTDGVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11(2)16-13(18)8-9-15-10-14(19)17-12-6-4-3-5-7-12/h3-7,11,15H,8-10H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 3-[(2-anilino-2-oxoethyl)amino]-N-propan-2-ylpropanamide?
3-[(2-anilino-2-oxoethyl)amino]-N-propan-2-ylpropanamide has a molecular weight of 263.34 g/mol, XLogP of 1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-anilino-2-oxoethyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 115586548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).