3-(4-tert-butylanilino)-N-(3-methylphenyl)propanamide

C20H26N2O — CID 109034148

IUPAC3-(4-tert-butylanilino)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCNc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H26N2O/c1-15-6-5-7-18(14-15)22-19(23)12-13-21-17-10-8-16(9-11-17)20(2,3)4/h5-11,14,21H,12-13H2,1-4H3,(H,22,23)
InChIKeyCACNQXZKDJXUNX-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.73
Rot. Bonds5

About 3-(4-tert-butylanilino)-N-(3-methylphenyl)propanamide

3-(4-tert-butylanilino)-N-(3-methylphenyl)propanamide (PubChem CID 109034148) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-(4-tert-butylanilino)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-tert-butylanilino)-N-(3-methylphenyl)propanamide
PubChem CID109034148
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-(4-tert-butylanilino)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCNc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H26N2O/c1-15-6-5-7-18(14-15)22-19(23)12-13-21-17-10-8-16(9-11-17)20(2,3)4/h5-11,14,21H,12-13H2,1-4H3,(H,22,23)
InChIKeyCACNQXZKDJXUNX-UHFFFAOYSA-N
XLogP4.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromoanilino)-N-(3-methylphenyl)propanamide
CID 109034162
3-(4-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109034139
3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide
CID 109034224
3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide
CID 109034228
N-(3-fluorophenyl)-3-(4-methylanilino)propanamide
CID 109034497
3-(4-tert-butylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109035942
3-acetamido-N-(3-methylphenyl)propanamide
CID 47097671
N-(3-methoxyphenyl)-3-(4-methylanilino)propanamide
CID 109034467
N-(3-methylphenyl)-3-(pyrazin-2-ylamino)propanamide
CID 134713732
3-(3-methylanilino)-N-(2-methylphenyl)propanamide
CID 109033964
N-(2-bromophenyl)-3-(3-methylanilino)propanamide
CID 109034300
N-(3,5-dimethylphenyl)-3-(4-fluoroanilino)propanamide
CID 109035607

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylanilino)-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-(4-tert-butylanilino)-N-(3-methylphenyl)propanamide (CID 109034148) is 3-(4-tert-butylanilino)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-(4-tert-butylanilino)-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-(4-tert-butylanilino)-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)CCNc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 3-(4-tert-butylanilino)-N-(3-methylphenyl)propanamide?
The InChIKey is CACNQXZKDJXUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-15-6-5-7-18(14-15)22-19(23)12-13-21-17-10-8-16(9-11-17)20(2,3)4/h5-11,14,21H,12-13H2,1-4H3,(H,22,23).
What are the key properties of 3-(4-tert-butylanilino)-N-(3-methylphenyl)propanamide?
3-(4-tert-butylanilino)-N-(3-methylphenyl)propanamide has a molecular weight of 310.44 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylanilino)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 109034148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).