2-(1-adamantyl)ethyl N-(4-bromophenyl)carbamate

C19H24BrNO2 — CID 58149769

IUPAC2-(1-adamantyl)ethyl N-(4-bromophenyl)carbamate
SMILESO=C(Nc1ccc(Br)cc1)OCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24BrNO2/c20-16-1-3-17(4-2-16)21-18(22)23-6-5-19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2,(H,21,22)
InChIKeyMQOUPNRMHQWBNG-UHFFFAOYSA-N
MW378.31 g/mol
LogP5.60
Rot. Bonds4

About 2-(1-adamantyl)ethyl N-(4-bromophenyl)carbamate

2-(1-adamantyl)ethyl N-(4-bromophenyl)carbamate (PubChem CID 58149769) has the molecular formula C19H24BrNO2 and a molecular weight of 378.31 g/mol. Its IUPAC name is 2-(1-adamantyl)ethyl N-(4-bromophenyl)carbamate.

Molecular Properties

Compound Name2-(1-adamantyl)ethyl N-(4-bromophenyl)carbamate
PubChem CID58149769
Molecular FormulaC19H24BrNO2
Molecular Weight378.31 g/mol
Exact Mass377.10
IUPAC Name2-(1-adamantyl)ethyl N-(4-bromophenyl)carbamate
SMILESO=C(Nc1ccc(Br)cc1)OCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24BrNO2/c20-16-1-3-17(4-2-16)21-18(22)23-6-5-19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2,(H,21,22)
InChIKeyMQOUPNRMHQWBNG-UHFFFAOYSA-N
XLogP5.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.31
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-adamantyl)ethyl N-(4-bromophenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-adamantyl)ethyl 3-bromobenzoate
CID 585353
2-(1-adamantyl)ethyl N-ethylcarbamate
CID 5173684
N-[2-(1-adamantyl)ethyl]-4-bromobenzamide
CID 2919468
bis[2-(1-adamantyl)ethyl] butanedioate
CID 91715234
1-(1-adamantyl)-3-(4-bromophenyl)thiourea
CID 19651523
2-(1-adamantyl)-N-(4-aminophenyl)acetamide
CID 79987888
1-adamantyl N-(4-aminophenyl)carbamate
CID 89196644
N-[(4-bromophenyl)carbamothioyl]adamantane-1-carboxamide
CID 54787547
2-(1-adamantyl)ethyl 2-chloroacetate
CID 585346
[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] adamantane-1-carboxylate
CID 7873763
(2S)-2-(1-adamantylamino)-N-(4-bromophenyl)propanamide
CID 9358485
2-O-[2-(1-adamantyl)ethyl] 1-O-propyl benzene-1,2-dicarboxylate
CID 6423772

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)ethyl N-(4-bromophenyl)carbamate?
The IUPAC name of 2-(1-adamantyl)ethyl N-(4-bromophenyl)carbamate (CID 58149769) is 2-(1-adamantyl)ethyl N-(4-bromophenyl)carbamate.
What is the SMILES notation for 2-(1-adamantyl)ethyl N-(4-bromophenyl)carbamate?
The canonical SMILES for 2-(1-adamantyl)ethyl N-(4-bromophenyl)carbamate is O=C(Nc1ccc(Br)cc1)OCCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)ethyl N-(4-bromophenyl)carbamate?
The InChIKey is MQOUPNRMHQWBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrNO2/c20-16-1-3-17(4-2-16)21-18(22)23-6-5-19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2,(H,21,22).
What are the key properties of 2-(1-adamantyl)ethyl N-(4-bromophenyl)carbamate?
2-(1-adamantyl)ethyl N-(4-bromophenyl)carbamate has a molecular weight of 378.31 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)ethyl N-(4-bromophenyl)carbamate is sourced from PubChem (CID 58149769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).