N-(1-phenylpropyl)-4-propan-2-ylbenzamide

C19H23NO — CID 17327920

IUPACN-(1-phenylpropyl)-4-propan-2-ylbenzamide
SMILESCCC(NC(=O)c1ccc(C(C)C)cc1)c1ccccc1
InChIInChI=1S/C19H23NO/c1-4-18(16-8-6-5-7-9-16)20-19(21)17-12-10-15(11-13-17)14(2)3/h5-14,18H,4H2,1-3H3,(H,20,21)
InChIKeyXZJTYLGQAORXPK-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.69
Rot. Bonds5

About N-(1-phenylpropyl)-4-propan-2-ylbenzamide

N-(1-phenylpropyl)-4-propan-2-ylbenzamide (PubChem CID 17327920) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(1-phenylpropyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(1-phenylpropyl)-4-propan-2-ylbenzamide
PubChem CID17327920
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-(1-phenylpropyl)-4-propan-2-ylbenzamide
SMILESCCC(NC(=O)c1ccc(C(C)C)cc1)c1ccccc1
InChIInChI=1S/C19H23NO/c1-4-18(16-8-6-5-7-9-16)20-19(21)17-12-10-15(11-13-17)14(2)3/h5-14,18H,4H2,1-3H3,(H,20,21)
InChIKeyXZJTYLGQAORXPK-UHFFFAOYSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
N-(2-chloro-1-phenylethyl)-4-propan-2-ylbenzamide
CID 114300182
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
N-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide
CID 28632520
N-[1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 17328245
N-[(1S)-1-(4-bromophenyl)propyl]benzamide
CID 26776311
6-chloro-N-(1-phenylpropyl)pyridine-3-carboxamide
CID 17168005
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
1-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43712916
N-(1-aminobutan-2-yl)-4-propan-2-ylbenzamide
CID 63753720
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
3-hydroxy-N-(1-phenylpropyl)benzamide
CID 55057527

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropyl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(1-phenylpropyl)-4-propan-2-ylbenzamide (CID 17327920) is N-(1-phenylpropyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(1-phenylpropyl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(1-phenylpropyl)-4-propan-2-ylbenzamide is CCC(NC(=O)c1ccc(C(C)C)cc1)c1ccccc1.
What is the InChIKey of N-(1-phenylpropyl)-4-propan-2-ylbenzamide?
The InChIKey is XZJTYLGQAORXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-4-18(16-8-6-5-7-9-16)20-19(21)17-12-10-15(11-13-17)14(2)3/h5-14,18H,4H2,1-3H3,(H,20,21).
What are the key properties of N-(1-phenylpropyl)-4-propan-2-ylbenzamide?
N-(1-phenylpropyl)-4-propan-2-ylbenzamide has a molecular weight of 281.40 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 17327920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).