N-[4-(2-adamantyl)phenyl]-3-phenylpropanamide

C25H29NO — CID 126178143

IUPACN-[4-(2-adamantyl)phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C25H29NO/c27-24(11-6-17-4-2-1-3-5-17)26-23-9-7-20(8-10-23)25-21-13-18-12-19(15-21)16-22(25)14-18/h1-5,7-10,18-19,21-22,25H,6,11-16H2,(H,26,27)
InChIKeyCKNDHHFMSXLPSR-UHFFFAOYSA-N
MW359.51 g/mol
LogP5.80
Rot. Bonds5

About N-[4-(2-adamantyl)phenyl]-3-phenylpropanamide

N-[4-(2-adamantyl)phenyl]-3-phenylpropanamide (PubChem CID 126178143) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is N-[4-(2-adamantyl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(2-adamantyl)phenyl]-3-phenylpropanamide
PubChem CID126178143
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC NameN-[4-(2-adamantyl)phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C25H29NO/c27-24(11-6-17-4-2-1-3-5-17)26-23-9-7-20(8-10-23)25-21-13-18-12-19(15-21)16-22(25)14-18/h1-5,7-10,18-19,21-22,25H,6,11-16H2,(H,26,27)
InChIKeyCKNDHHFMSXLPSR-UHFFFAOYSA-N
XLogP5.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
N-(4-hydroxyphenyl)-3-phenylpropanamide
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3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 17233492
4-(3-phenylpropanoylamino)benzoic acid
CID 10492186
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
N-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide
CID 114299237
N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide
CID 54810342
N-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54820849
4-(3-phenylpropanoylamino)benzamide
CID 675903
3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 819687
3-phenyl-N-[4-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide
CID 17233671
N-[4-(dimethylamino)phenyl]-3-phenylpropanamide
CID 874810

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-adamantyl)phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-(2-adamantyl)phenyl]-3-phenylpropanamide (CID 126178143) is N-[4-(2-adamantyl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-(2-adamantyl)phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-(2-adamantyl)phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of N-[4-(2-adamantyl)phenyl]-3-phenylpropanamide?
The InChIKey is CKNDHHFMSXLPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO/c27-24(11-6-17-4-2-1-3-5-17)26-23-9-7-20(8-10-23)25-21-13-18-12-19(15-21)16-22(25)14-18/h1-5,7-10,18-19,21-22,25H,6,11-16H2,(H,26,27).
What are the key properties of N-[4-(2-adamantyl)phenyl]-3-phenylpropanamide?
N-[4-(2-adamantyl)phenyl]-3-phenylpropanamide has a molecular weight of 359.51 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-adamantyl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 126178143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).