2-(2-acetylanilino)-N-[(2R)-2-cyanopropyl]-N-ethylacetamide

C16H21N3O2 — CID 97054710

IUPAC2-(2-acetylanilino)-N-[(2R)-2-cyanopropyl]-N-ethylacetamide
SMILESCCN(C[C@@H](C)C#N)C(=O)CNc1ccccc1C(C)=O
InChIInChI=1S/C16H21N3O2/c1-4-19(11-12(2)9-17)16(21)10-18-15-8-6-5-7-14(15)13(3)20/h5-8,12,18H,4,10-11H2,1-3H3/t12-/m0/s1
InChIKeyQFUDFMRXVYKUAD-LBPRGKRZSA-N
MW287.36 g/mol
LogP2.31
Rot. Bonds7

About 2-(2-acetylanilino)-N-[(2R)-2-cyanopropyl]-N-ethylacetamide

2-(2-acetylanilino)-N-[(2R)-2-cyanopropyl]-N-ethylacetamide (PubChem CID 97054710) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(2-acetylanilino)-N-[(2R)-2-cyanopropyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-acetylanilino)-N-[(2R)-2-cyanopropyl]-N-ethylacetamide
PubChem CID97054710
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(2-acetylanilino)-N-[(2R)-2-cyanopropyl]-N-ethylacetamide
SMILESCCN(C[C@@H](C)C#N)C(=O)CNc1ccccc1C(C)=O
InChIInChI=1S/C16H21N3O2/c1-4-19(11-12(2)9-17)16(21)10-18-15-8-6-5-7-14(15)13(3)20/h5-8,12,18H,4,10-11H2,1-3H3/t12-/m0/s1
InChIKeyQFUDFMRXVYKUAD-LBPRGKRZSA-N
XLogP2.31
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[[2-[[(2R)-2-cyanopropyl]-ethylamino]-2-oxoethyl]amino]benzamide
CID 97054732
N-(2-cyanopropyl)-N-ethyl-2-(methylamino)acetamide
CID 60962782
2-(2-chlorophenyl)-N-(2-cyanopropyl)-N-ethylacetamide
CID 54979575
N-(2-cyanopropyl)-N-ethyl-2-naphthalen-1-ylacetamide
CID 51092598
N-(2-cyanopropyl)-N-ethyl-2,3-dihydroxybenzamide
CID 114343549
2-[benzyl(propyl)amino]-N-(2-cyanopropyl)-N-ethylacetamide
CID 87013152
N-[(2S)-2-cyanopropyl]-N-ethyl-2-[4-(4-methylpyrimidin-2-yl)anilino]acetamide
CID 97099259
(2S)-2-amino-N-[2-[2-cyanopropyl(ethyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82961896
2-(2-acetylanilino)acetic acid;methanamine
CID 69423543
N-(2-cyanopropyl)-N-ethyl-2-(1H-indol-3-yl)acetamide
CID 47268305
N-(2-cyanopropyl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 60514491
N-(2-cyanopropyl)-N-ethyl-2-hydrazinylpyridine-3-carboxamide
CID 62247908

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylanilino)-N-[(2R)-2-cyanopropyl]-N-ethylacetamide?
The IUPAC name of 2-(2-acetylanilino)-N-[(2R)-2-cyanopropyl]-N-ethylacetamide (CID 97054710) is 2-(2-acetylanilino)-N-[(2R)-2-cyanopropyl]-N-ethylacetamide.
What is the SMILES notation for 2-(2-acetylanilino)-N-[(2R)-2-cyanopropyl]-N-ethylacetamide?
The canonical SMILES for 2-(2-acetylanilino)-N-[(2R)-2-cyanopropyl]-N-ethylacetamide is CCN(C[C@@H](C)C#N)C(=O)CNc1ccccc1C(C)=O.
What is the InChIKey of 2-(2-acetylanilino)-N-[(2R)-2-cyanopropyl]-N-ethylacetamide?
The InChIKey is QFUDFMRXVYKUAD-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-19(11-12(2)9-17)16(21)10-18-15-8-6-5-7-14(15)13(3)20/h5-8,12,18H,4,10-11H2,1-3H3/t12-/m0/s1.
What are the key properties of 2-(2-acetylanilino)-N-[(2R)-2-cyanopropyl]-N-ethylacetamide?
2-(2-acetylanilino)-N-[(2R)-2-cyanopropyl]-N-ethylacetamide has a molecular weight of 287.36 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylanilino)-N-[(2R)-2-cyanopropyl]-N-ethylacetamide is sourced from PubChem (CID 97054710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).