3-(4-tert-butylphenyl)-N-[(1R)-1-phenylpropyl]propanamide

C22H29NO — CID 99951707

IUPAC3-(4-tert-butylphenyl)-N-[(1R)-1-phenylpropyl]propanamide
SMILESCC[C@@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C22H29NO/c1-5-20(18-9-7-6-8-10-18)23-21(24)16-13-17-11-14-19(15-12-17)22(2,3)4/h6-12,14-15,20H,5,13,16H2,1-4H3,(H,23,24)/t20-/m1/s1
InChIKeyXPYOIHPPNTWTPV-HXUWFJFHSA-N
MW323.48 g/mol
LogP5.18
Rot. Bonds6

About 3-(4-tert-butylphenyl)-N-[(1R)-1-phenylpropyl]propanamide

3-(4-tert-butylphenyl)-N-[(1R)-1-phenylpropyl]propanamide (PubChem CID 99951707) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-[(1R)-1-phenylpropyl]propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-[(1R)-1-phenylpropyl]propanamide
PubChem CID99951707
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name3-(4-tert-butylphenyl)-N-[(1R)-1-phenylpropyl]propanamide
SMILESCC[C@@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C22H29NO/c1-5-20(18-9-7-6-8-10-18)23-21(24)16-13-17-11-14-19(15-12-17)22(2,3)4/h6-12,14-15,20H,5,13,16H2,1-4H3,(H,23,24)/t20-/m1/s1
InChIKeyXPYOIHPPNTWTPV-HXUWFJFHSA-N
XLogP5.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-methylphenyl)-N-[(1R)-1-phenylpropyl]propanamide
CID 92675135
3-(4-tert-butylphenyl)-N-[1-(3,4-dimethoxyphenyl)propyl]propanamide
CID 132657824
3-(4-tert-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide
CID 60592502
2-(4-tert-butyl-N-methylsulfonylanilino)-N-(1-phenylpropyl)acetamide
CID 46771918
4-[3-(4-ethoxyphenyl)propanoylamino]-4-phenylbutanoic acid
CID 119200943
4-[3-(4-fluorophenyl)propanoylamino]-4-phenylbutanoic acid
CID 119201110
4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid
CID 119201187
4-amino-N-(1-phenylpropyl)butanamide
CID 62305395
methyl 3-[3-(4-tert-butylphenyl)propanoylamino]pentanoate
CID 112533178
3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 38016056
1-(4-tert-butylphenyl)-5-phenylpentan-3-one
CID 71658450
3-[4-(difluoromethoxy)phenyl]-N-(1-phenylbutyl)propanamide
CID 112814215

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-[(1R)-1-phenylpropyl]propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-[(1R)-1-phenylpropyl]propanamide (CID 99951707) is 3-(4-tert-butylphenyl)-N-[(1R)-1-phenylpropyl]propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-[(1R)-1-phenylpropyl]propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-[(1R)-1-phenylpropyl]propanamide is CC[C@@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccccc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-[(1R)-1-phenylpropyl]propanamide?
The InChIKey is XPYOIHPPNTWTPV-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H29NO/c1-5-20(18-9-7-6-8-10-18)23-21(24)16-13-17-11-14-19(15-12-17)22(2,3)4/h6-12,14-15,20H,5,13,16H2,1-4H3,(H,23,24)/t20-/m1/s1.
What are the key properties of 3-(4-tert-butylphenyl)-N-[(1R)-1-phenylpropyl]propanamide?
3-(4-tert-butylphenyl)-N-[(1R)-1-phenylpropyl]propanamide has a molecular weight of 323.48 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-[(1R)-1-phenylpropyl]propanamide is sourced from PubChem (CID 99951707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).