N-[4-(1-adamantyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C27H31NO — CID 100703536

IUPACN-[4-(1-adamantyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C27H31NO/c29-26(23-6-5-21-3-1-2-4-22(21)14-23)28-25-9-7-24(8-10-25)27-15-18-11-19(16-27)13-20(12-18)17-27/h5-10,14,18-20H,1-4,11-13,15-17H2,(H,28,29)
InChIKeyCXDZRQRRUADVCR-UHFFFAOYSA-N
MW385.55 g/mol
LogP6.29
Rot. Bonds3

About N-[4-(1-adamantyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[4-(1-adamantyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 100703536) has the molecular formula C27H31NO and a molecular weight of 385.55 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID100703536
Molecular FormulaC27H31NO
Molecular Weight385.55 g/mol
Exact Mass385.24
IUPAC NameN-[4-(1-adamantyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C27H31NO/c29-26(23-6-5-21-3-1-2-4-22(21)14-23)28-25-9-7-24(8-10-25)27-15-18-11-19(16-27)13-20(12-18)17-27/h5-10,14,18-20H,1-4,11-13,15-17H2,(H,28,29)
InChIKeyCXDZRQRRUADVCR-UHFFFAOYSA-N
XLogP6.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid
CID 18876241
N-(4-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9191578
N-[4-(cyclopropanecarbonylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 41266130
N-[4-(1-adamantyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133201667
N-[4-(1-adamantyl)phenyl]-3-(methanesulfonamido)benzamide
CID 41448880
N-(4-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17495760
3-[4-[[4-(1-adamantyl)phenyl]carbamoyl]anilino]benzoic acid
CID 155133864
N-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7669273
N-[4-(1-adamantyl)phenyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 38106623
N-[4-[(5R,7R)-3-phenyl-1-adamantyl]phenyl]benzamide
CID 98144092
N-[4-(1-adamantyl)phenyl]-2,4-dichlorobenzamide
CID 4545545
N-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7668668

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 100703536) is N-[4-(1-adamantyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is CXDZRQRRUADVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO/c29-26(23-6-5-21-3-1-2-4-22(21)14-23)28-25-9-7-24(8-10-25)27-15-18-11-19(16-27)13-20(12-18)17-27/h5-10,14,18-20H,1-4,11-13,15-17H2,(H,28,29).
What are the key properties of N-[4-(1-adamantyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[4-(1-adamantyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 385.55 g/mol, XLogP of 6.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 100703536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).