2-(3-acetamido-2-methylanilino)-N-ethyl-N-phenylacetamide

C19H23N3O2 — CID 34067816

IUPAC2-(3-acetamido-2-methylanilino)-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CNc1cccc(NC(C)=O)c1C)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-4-22(16-9-6-5-7-10-16)19(24)13-20-17-11-8-12-18(14(17)2)21-15(3)23/h5-12,20H,4,13H2,1-3H3,(H,21,23)
InChIKeyKAEOMKVESCLEBT-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.42
Rot. Bonds6

About 2-(3-acetamido-2-methylanilino)-N-ethyl-N-phenylacetamide

2-(3-acetamido-2-methylanilino)-N-ethyl-N-phenylacetamide (PubChem CID 34067816) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(3-acetamido-2-methylanilino)-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-acetamido-2-methylanilino)-N-ethyl-N-phenylacetamide
PubChem CID34067816
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-(3-acetamido-2-methylanilino)-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CNc1cccc(NC(C)=O)c1C)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-4-22(16-9-6-5-7-10-16)19(24)13-20-17-11-8-12-18(14(17)2)21-15(3)23/h5-12,20H,4,13H2,1-3H3,(H,21,23)
InChIKeyKAEOMKVESCLEBT-UHFFFAOYSA-N
XLogP3.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetamidoanilino)-N-ethyl-N-phenylacetamide
CID 37176169
2-(2-cyanoanilino)-N-ethyl-N-phenylacetamide
CID 109007773
N-ethyl-2-[2-(2-methylprop-2-enoxy)anilino]-N-phenylacetamide
CID 54826257
N-ethyl-N-phenyl-2-(quinolin-8-ylamino)acetamide
CID 109007764
2-(3-acetamido-2-methylanilino)-N,N-bis(prop-2-enyl)acetamide
CID 32972903
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
3-[[2-(N-ethylanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
CID 60537383
N-ethyl-2-(4-iodoanilino)-N-phenylacetamide
CID 54812345
2-(3-acetamidoanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 109009943
N-[5-[[2-(N-ethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844732
2-[[2-(N-ethylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263468
3-(2,3-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108991555

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-2-methylanilino)-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-(3-acetamido-2-methylanilino)-N-ethyl-N-phenylacetamide (CID 34067816) is 2-(3-acetamido-2-methylanilino)-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-(3-acetamido-2-methylanilino)-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-(3-acetamido-2-methylanilino)-N-ethyl-N-phenylacetamide is CCN(C(=O)CNc1cccc(NC(C)=O)c1C)c1ccccc1.
What is the InChIKey of 2-(3-acetamido-2-methylanilino)-N-ethyl-N-phenylacetamide?
The InChIKey is KAEOMKVESCLEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-22(16-9-6-5-7-10-16)19(24)13-20-17-11-8-12-18(14(17)2)21-15(3)23/h5-12,20H,4,13H2,1-3H3,(H,21,23).
What are the key properties of 2-(3-acetamido-2-methylanilino)-N-ethyl-N-phenylacetamide?
2-(3-acetamido-2-methylanilino)-N-ethyl-N-phenylacetamide has a molecular weight of 325.41 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-2-methylanilino)-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 34067816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).