3-(2-tert-butylanilino)-N-(4-ethoxyphenyl)propanamide

C21H28N2O2 — CID 109037316

IUPAC3-(2-tert-butylanilino)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCNc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C21H28N2O2/c1-5-25-17-12-10-16(11-13-17)23-20(24)14-15-22-19-9-7-6-8-18(19)21(2,3)4/h6-13,22H,5,14-15H2,1-4H3,(H,23,24)
InChIKeyHTMPBPOINMUNFH-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.82
Rot. Bonds7

About 3-(2-tert-butylanilino)-N-(4-ethoxyphenyl)propanamide

3-(2-tert-butylanilino)-N-(4-ethoxyphenyl)propanamide (PubChem CID 109037316) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-(2-tert-butylanilino)-N-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2-tert-butylanilino)-N-(4-ethoxyphenyl)propanamide
PubChem CID109037316
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name3-(2-tert-butylanilino)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCNc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C21H28N2O2/c1-5-25-17-12-10-16(11-13-17)23-20(24)14-15-22-19-9-7-6-8-18(19)21(2,3)4/h6-13,22H,5,14-15H2,1-4H3,(H,23,24)
InChIKeyHTMPBPOINMUNFH-UHFFFAOYSA-N
XLogP4.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-3-(2-tert-butylanilino)propanamide
CID 109037311
3-(2-tert-butylanilino)-N-(4-cyanophenyl)propanamide
CID 109037353
4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 17050908
3-(4-acetamidoanilino)-N-(2-tert-butylphenyl)propanamide
CID 109037274
3-(2,6-dichloroanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039909
3-(2-tert-butylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031043
3-(4-acetylanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039871
3-(2-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 109037309
3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide
CID 109037305
3-(4-cyanoanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039917
3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide
CID 109038041
3-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109039924

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylanilino)-N-(4-ethoxyphenyl)propanamide?
The IUPAC name of 3-(2-tert-butylanilino)-N-(4-ethoxyphenyl)propanamide (CID 109037316) is 3-(2-tert-butylanilino)-N-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-(2-tert-butylanilino)-N-(4-ethoxyphenyl)propanamide?
The canonical SMILES for 3-(2-tert-butylanilino)-N-(4-ethoxyphenyl)propanamide is CCOc1ccc(NC(=O)CCNc2ccccc2C(C)(C)C)cc1.
What is the InChIKey of 3-(2-tert-butylanilino)-N-(4-ethoxyphenyl)propanamide?
The InChIKey is HTMPBPOINMUNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-5-25-17-12-10-16(11-13-17)23-20(24)14-15-22-19-9-7-6-8-18(19)21(2,3)4/h6-13,22H,5,14-15H2,1-4H3,(H,23,24).
What are the key properties of 3-(2-tert-butylanilino)-N-(4-ethoxyphenyl)propanamide?
3-(2-tert-butylanilino)-N-(4-ethoxyphenyl)propanamide has a molecular weight of 340.47 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylanilino)-N-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 109037316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).