2-(3-ethyl-4-methylanilino)-N-propan-2-ylacetamide

C14H22N2O — CID 114250238

IUPAC2-(3-ethyl-4-methylanilino)-N-propan-2-ylacetamide
SMILESCCc1cc(NCC(=O)NC(C)C)ccc1C
InChIInChI=1S/C14H22N2O/c1-5-12-8-13(7-6-11(12)4)15-9-14(17)16-10(2)3/h6-8,10,15H,5,9H2,1-4H3,(H,16,17)
InChIKeyBMBDFFPPNWYNJL-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.49
Rot. Bonds5

About 2-(3-ethyl-4-methylanilino)-N-propan-2-ylacetamide

2-(3-ethyl-4-methylanilino)-N-propan-2-ylacetamide (PubChem CID 114250238) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(3-ethyl-4-methylanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-ethyl-4-methylanilino)-N-propan-2-ylacetamide
PubChem CID114250238
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(3-ethyl-4-methylanilino)-N-propan-2-ylacetamide
SMILESCCc1cc(NCC(=O)NC(C)C)ccc1C
InChIInChI=1S/C14H22N2O/c1-5-12-8-13(7-6-11(12)4)15-9-14(17)16-10(2)3/h6-8,10,15H,5,9H2,1-4H3,(H,16,17)
InChIKeyBMBDFFPPNWYNJL-UHFFFAOYSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-methyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]propanamide
CID 54844965
2-(4-ethylanilino)-N-propan-2-ylacetamide
CID 28583181
2-(3-ethylanilino)-N-propan-2-ylacetamide
CID 28584308
2-(naphthalen-2-ylamino)-N-propan-2-ylacetamide
CID 43398270
N-butan-2-yl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 60721340
2-(4-bromoanilino)-N-propan-2-ylacetamide
CID 17401945
2-(4-propanoylanilino)-N-propan-2-ylacetamide
CID 114066654
3-amino-N-(3-ethyl-4-methylphenyl)butanamide
CID 120874215
2-(4-ethyl-3-methylanilino)-N-propylacetamide
CID 113346217
2-(3-iodoanilino)-N-propan-2-ylacetamide
CID 28829975
3-(3-bromo-4-methylanilino)-N-propan-2-ylpropanamide
CID 63333816
(2R)-2-[(3-ethyl-4-methylphenyl)carbamoylamino]propanoic acid
CID 114189010

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-methylanilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-ethyl-4-methylanilino)-N-propan-2-ylacetamide (CID 114250238) is 2-(3-ethyl-4-methylanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-ethyl-4-methylanilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-ethyl-4-methylanilino)-N-propan-2-ylacetamide is CCc1cc(NCC(=O)NC(C)C)ccc1C.
What is the InChIKey of 2-(3-ethyl-4-methylanilino)-N-propan-2-ylacetamide?
The InChIKey is BMBDFFPPNWYNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-12-8-13(7-6-11(12)4)15-9-14(17)16-10(2)3/h6-8,10,15H,5,9H2,1-4H3,(H,16,17).
What are the key properties of 2-(3-ethyl-4-methylanilino)-N-propan-2-ylacetamide?
2-(3-ethyl-4-methylanilino)-N-propan-2-ylacetamide has a molecular weight of 234.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-methylanilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 114250238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).