N-[4-[(5R,7R)-3-phenyl-1-adamantyl]phenyl]benzamide

C29H29NO — CID 98144092

IUPACN-[4-[(5R,7R)-3-phenyl-1-adamantyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C23C[C@@H]4C[C@H](CC(c5ccccc5)(C4)C2)C3)cc1)c1ccccc1
InChIInChI=1S/C29H29NO/c31-27(23-7-3-1-4-8-23)30-26-13-11-25(12-14-26)29-18-21-15-22(19-29)17-28(16-21,20-29)24-9-5-2-6-10-24/h1-14,21-22H,15-20H2,(H,30,31)/t21-,22-,28?,29?/m1/s1
InChIKeyYQTWEVXDOHZBKW-RGHCOQMCSA-N
MW407.56 g/mol
LogP6.73
Rot. Bonds4

About N-[4-[(5R,7R)-3-phenyl-1-adamantyl]phenyl]benzamide

N-[4-[(5R,7R)-3-phenyl-1-adamantyl]phenyl]benzamide (PubChem CID 98144092) has the molecular formula C29H29NO and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[4-[(5R,7R)-3-phenyl-1-adamantyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(5R,7R)-3-phenyl-1-adamantyl]phenyl]benzamide
PubChem CID98144092
Molecular FormulaC29H29NO
Molecular Weight407.56 g/mol
Exact Mass407.22
IUPAC NameN-[4-[(5R,7R)-3-phenyl-1-adamantyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C23C[C@@H]4C[C@H](CC(c5ccccc5)(C4)C2)C3)cc1)c1ccccc1
InChIInChI=1S/C29H29NO/c31-27(23-7-3-1-4-8-23)30-26-13-11-25(12-14-26)29-18-21-15-22(19-29)17-28(16-21,20-29)24-9-5-2-6-10-24/h1-14,21-22H,15-20H2,(H,30,31)/t21-,22-,28?,29?/m1/s1
InChIKeyYQTWEVXDOHZBKW-RGHCOQMCSA-N
XLogP6.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-[[4-(1-adamantyl)phenyl]carbamoyl]anilino]benzoic acid
CID 155133864
(5S,7S)-3-phenyladamantane-1-carboxylic acid
CID 98062703
N-[[3-(4-methylphenyl)-1-adamantyl]methyl]benzamide
CID 4160024
6-[4-[[4-(1-adamantyl)phenyl]carbamoyl]anilino]pyridine-2-carboxylic acid
CID 155134030
N-[4-(1-adamantyl)phenyl]-3-(methanesulfonamido)benzamide
CID 41448880
(5S,7S)-3-phenyl-N-(4-sulfamoylphenyl)adamantane-1-carboxamide
CID 98586974
N-[4-(1-adamantyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 126031363
N-[4-(1-adamantyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100703536
ethyl 2-[3-[4-[(4-methoxybenzoyl)amino]phenyl]-1-adamantyl]acetate
CID 23996001
1-[4-(1-adamantyl)phenyl]-3-phenylthiourea
CID 3966717
N-[3-(ethylcarbamoyl)phenyl]-3-phenyladamantane-1-carboxamide
CID 52990873
N-[4-[(5R,7R)-3-chloro-1-adamantyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide
CID 98390779

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5R,7R)-3-phenyl-1-adamantyl]phenyl]benzamide?
The IUPAC name of N-[4-[(5R,7R)-3-phenyl-1-adamantyl]phenyl]benzamide (CID 98144092) is N-[4-[(5R,7R)-3-phenyl-1-adamantyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[(5R,7R)-3-phenyl-1-adamantyl]phenyl]benzamide?
The canonical SMILES for N-[4-[(5R,7R)-3-phenyl-1-adamantyl]phenyl]benzamide is O=C(Nc1ccc(C23C[C@@H]4C[C@H](CC(c5ccccc5)(C4)C2)C3)cc1)c1ccccc1.
What is the InChIKey of N-[4-[(5R,7R)-3-phenyl-1-adamantyl]phenyl]benzamide?
The InChIKey is YQTWEVXDOHZBKW-RGHCOQMCSA-N. The full InChI is InChI=1S/C29H29NO/c31-27(23-7-3-1-4-8-23)30-26-13-11-25(12-14-26)29-18-21-15-22(19-29)17-28(16-21,20-29)24-9-5-2-6-10-24/h1-14,21-22H,15-20H2,(H,30,31)/t21-,22-,28?,29?/m1/s1.
What are the key properties of N-[4-[(5R,7R)-3-phenyl-1-adamantyl]phenyl]benzamide?
N-[4-[(5R,7R)-3-phenyl-1-adamantyl]phenyl]benzamide has a molecular weight of 407.56 g/mol, XLogP of 6.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5R,7R)-3-phenyl-1-adamantyl]phenyl]benzamide is sourced from PubChem (CID 98144092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).