[4-(1-adamantyl)phenyl] N-propylcarbamate

C20H27NO2 — CID 5154049

IUPAC[4-(1-adamantyl)phenyl] N-propylcarbamate
SMILESCCCNC(=O)Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H27NO2/c1-2-7-21-19(22)23-18-5-3-17(4-6-18)20-11-14-8-15(12-20)10-16(9-14)13-20/h3-6,14-16H,2,7-13H2,1H3,(H,21,22)
InChIKeyZQUIUTBWGBEHSC-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.65
Rot. Bonds4

About [4-(1-adamantyl)phenyl] N-propylcarbamate

[4-(1-adamantyl)phenyl] N-propylcarbamate (PubChem CID 5154049) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is [4-(1-adamantyl)phenyl] N-propylcarbamate.

Molecular Properties

Compound Name[4-(1-adamantyl)phenyl] N-propylcarbamate
PubChem CID5154049
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name[4-(1-adamantyl)phenyl] N-propylcarbamate
SMILESCCCNC(=O)Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H27NO2/c1-2-7-21-19(22)23-18-5-3-17(4-6-18)20-11-14-8-15(12-20)10-16(9-14)13-20/h3-6,14-16H,2,7-13H2,1H3,(H,21,22)
InChIKeyZQUIUTBWGBEHSC-UHFFFAOYSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1-adamantyl)phenyl] 3-acetamidopropanoate
CID 8892036
[4-(1-adamantyl)phenyl] N-(benzenesulfonyl)carbamate
CID 4043567
[4-(2-aminoethyl)phenyl] N-propylcarbamate
CID 79338383
ethyl (E)-4-[4-(1-adamantyl)phenoxy]but-2-enoate
CID 70637851
methyl 2-[2-[4-(1-adamantyl)phenoxy]propanoylamino]acetate
CID 75402925
[4-[4-(butylcarbamoyloxy)phenyl]phenyl] N-butylcarbamate
CID 100978382
(2R)-2-[[2-[4-(1-adamantyl)-N-methylsulfonylanilino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100526866
(2S)-2-[[2-[4-(1-adamantyl)-N-methylsulfonylanilino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100526874
[4-(1-adamantylcarbamoyloxy)phenyl] N-(1-adamantyl)carbamate
CID 118586680
(4-aminophenyl) N-butylcarbamate
CID 126552960
[4-(propylcarbamoyloxy)phenyl]methyl 2,2-dimethylpropanoate
CID 58962186
[4-[(1S)-1-(propylcarbamoyloxy)prop-2-enyl]phenyl] N-propylcarbamate
CID 46884722

Frequently Asked Questions

What is the IUPAC name of [4-(1-adamantyl)phenyl] N-propylcarbamate?
The IUPAC name of [4-(1-adamantyl)phenyl] N-propylcarbamate (CID 5154049) is [4-(1-adamantyl)phenyl] N-propylcarbamate.
What is the SMILES notation for [4-(1-adamantyl)phenyl] N-propylcarbamate?
The canonical SMILES for [4-(1-adamantyl)phenyl] N-propylcarbamate is CCCNC(=O)Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of [4-(1-adamantyl)phenyl] N-propylcarbamate?
The InChIKey is ZQUIUTBWGBEHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-2-7-21-19(22)23-18-5-3-17(4-6-18)20-11-14-8-15(12-20)10-16(9-14)13-20/h3-6,14-16H,2,7-13H2,1H3,(H,21,22).
What are the key properties of [4-(1-adamantyl)phenyl] N-propylcarbamate?
[4-(1-adamantyl)phenyl] N-propylcarbamate has a molecular weight of 313.44 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-adamantyl)phenyl] N-propylcarbamate is sourced from PubChem (CID 5154049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).