3-(4-tert-butylanilino)-N-[(4-methylphenyl)methyl]propanamide

C21H28N2O — CID 109019825

IUPAC3-(4-tert-butylanilino)-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCNc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O/c1-16-5-7-17(8-6-16)15-23-20(24)13-14-22-19-11-9-18(10-12-19)21(2,3)4/h5-12,22H,13-15H2,1-4H3,(H,23,24)
InChIKeyFUEWLRRQAOZDAT-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.41
Rot. Bonds6

About 3-(4-tert-butylanilino)-N-[(4-methylphenyl)methyl]propanamide

3-(4-tert-butylanilino)-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 109019825) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-(4-tert-butylanilino)-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-tert-butylanilino)-N-[(4-methylphenyl)methyl]propanamide
PubChem CID109019825
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name3-(4-tert-butylanilino)-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCNc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O/c1-16-5-7-17(8-6-16)15-23-20(24)13-14-22-19-11-9-18(10-12-19)21(2,3)4/h5-12,22H,13-15H2,1-4H3,(H,23,24)
InChIKeyFUEWLRRQAOZDAT-UHFFFAOYSA-N
XLogP4.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-tert-butylanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 109021704
3-anilino-N-[(4-methylphenyl)methyl]propanamide
CID 109019803
N-benzyl-3-(4-methylanilino)propanamide
CID 109018805
N-[(4-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
CID 8833236
3-(3,4-dichloroanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 109019889
3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 37430844
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
N-[(4-methylphenyl)methyl]butanamide
CID 835678
3-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016257
N-tert-butyl-3-(4-methylanilino)propanamide
CID 109031320
N-[(4-tert-butylphenyl)methyl]-2-hydroxyacetamide
CID 69343221
N-[(4-methylphenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60853234

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylanilino)-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(4-tert-butylanilino)-N-[(4-methylphenyl)methyl]propanamide (CID 109019825) is 3-(4-tert-butylanilino)-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-tert-butylanilino)-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(4-tert-butylanilino)-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)CCNc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 3-(4-tert-butylanilino)-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is FUEWLRRQAOZDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-16-5-7-17(8-6-16)15-23-20(24)13-14-22-19-11-9-18(10-12-19)21(2,3)4/h5-12,22H,13-15H2,1-4H3,(H,23,24).
What are the key properties of 3-(4-tert-butylanilino)-N-[(4-methylphenyl)methyl]propanamide?
3-(4-tert-butylanilino)-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 324.47 g/mol, XLogP of 4.41, 6 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-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 109019825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).