[(1R)-2-(4-bromophenyl)-1-naphthalen-1-yl-2-oxoethyl] N,N-di(propan-2-yl)carbamate

C25H26BrNO3 — CID 102576545

IUPAC[(1R)-2-(4-bromophenyl)-1-naphthalen-1-yl-2-oxoethyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)O[C@@H](C(=O)c1ccc(Br)cc1)c1cccc2ccccc12)C(C)C
InChIInChI=1S/C25H26BrNO3/c1-16(2)27(17(3)4)25(29)30-24(23(28)19-12-14-20(26)15-13-19)22-11-7-9-18-8-5-6-10-21(18)22/h5-17,24H,1-4H3/t24-/m1/s1
InChIKeyRTROFSXADCYALY-XMMPIXPASA-N
MW468.39 g/mol
LogP6.78
Rot. Bonds6

About [(1R)-2-(4-bromophenyl)-1-naphthalen-1-yl-2-oxoethyl] N,N-di(propan-2-yl)carbamate

[(1R)-2-(4-bromophenyl)-1-naphthalen-1-yl-2-oxoethyl] N,N-di(propan-2-yl)carbamate (PubChem CID 102576545) has the molecular formula C25H26BrNO3 and a molecular weight of 468.39 g/mol. Its IUPAC name is [(1R)-2-(4-bromophenyl)-1-naphthalen-1-yl-2-oxoethyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(1R)-2-(4-bromophenyl)-1-naphthalen-1-yl-2-oxoethyl] N,N-di(propan-2-yl)carbamate
PubChem CID102576545
Molecular FormulaC25H26BrNO3
Molecular Weight468.39 g/mol
Exact Mass467.11
IUPAC Name[(1R)-2-(4-bromophenyl)-1-naphthalen-1-yl-2-oxoethyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)O[C@@H](C(=O)c1ccc(Br)cc1)c1cccc2ccccc12)C(C)C
InChIInChI=1S/C25H26BrNO3/c1-16(2)27(17(3)4)25(29)30-24(23(28)19-12-14-20(26)15-13-19)22-11-7-9-18-8-5-6-10-21(18)22/h5-17,24H,1-4H3/t24-/m1/s1
InChIKeyRTROFSXADCYALY-XMMPIXPASA-N
XLogP6.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.39
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-methylphenyl)-1-naphthalen-1-yl-2-oxoethoxy]carbonylbut-3-enoic acid
CID 161072463
[(1R)-1-naphthalen-1-ylethyl] acetate
CID 13082477
[(2S)-1-(4-bromophenyl)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
CID 7889015
1-naphthalen-1-ylethyl carbamate
CID 14959373
2-[(4-bromophenyl)sulfonylamino]-3-naphthalen-1-ylbutanoic acid
CID 138520359
(2S)-1-(4-bromophenyl)-2-ethylsulfonylpropan-1-one
CID 124508240
(1S)-1-(4-bromophenyl)ethanamine;(1S)-1-naphthalen-1-ylethanamine
CID 22806370
N,N',2-trimethyl-N'-[(2S)-2-naphthalen-1-ylpropanoyl]propanehydrazide
CID 27877300
propan-2-yl 2-amino-2-naphthalen-1-ylacetate
CID 139951095
1-(4-bromophenyl)-2-[2-methylpropyl(propan-2-yl)amino]propan-1-one
CID 63568429
(1R)-N-[(4-bromophenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine
CID 72708650
1-[4-(dimethylamino)phenyl]-2-hydroxy-2-naphthalen-1-ylethanone
CID 71376759

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(4-bromophenyl)-1-naphthalen-1-yl-2-oxoethyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(1R)-2-(4-bromophenyl)-1-naphthalen-1-yl-2-oxoethyl] N,N-di(propan-2-yl)carbamate (CID 102576545) is [(1R)-2-(4-bromophenyl)-1-naphthalen-1-yl-2-oxoethyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(1R)-2-(4-bromophenyl)-1-naphthalen-1-yl-2-oxoethyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(1R)-2-(4-bromophenyl)-1-naphthalen-1-yl-2-oxoethyl] N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)O[C@@H](C(=O)c1ccc(Br)cc1)c1cccc2ccccc12)C(C)C.
What is the InChIKey of [(1R)-2-(4-bromophenyl)-1-naphthalen-1-yl-2-oxoethyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is RTROFSXADCYALY-XMMPIXPASA-N. The full InChI is InChI=1S/C25H26BrNO3/c1-16(2)27(17(3)4)25(29)30-24(23(28)19-12-14-20(26)15-13-19)22-11-7-9-18-8-5-6-10-21(18)22/h5-17,24H,1-4H3/t24-/m1/s1.
What are the key properties of [(1R)-2-(4-bromophenyl)-1-naphthalen-1-yl-2-oxoethyl] N,N-di(propan-2-yl)carbamate?
[(1R)-2-(4-bromophenyl)-1-naphthalen-1-yl-2-oxoethyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 468.39 g/mol, XLogP of 6.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(4-bromophenyl)-1-naphthalen-1-yl-2-oxoethyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 102576545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).