[(1S)-6-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]carbamic acid

C20H23NO3 — CID 174226515

IUPAC[(1S)-6-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]carbamic acid
SMILESCOc1cccc(-c2ccc3c(c2)CCC(C)(C)[C@@H]3NC(=O)O)c1
InChIInChI=1S/C20H23NO3/c1-20(2)10-9-15-11-14(13-5-4-6-16(12-13)24-3)7-8-17(15)18(20)21-19(22)23/h4-8,11-12,18,21H,9-10H2,1-3H3,(H,22,23)/t18-/m1/s1
InChIKeyCQPAKMLCZWARBH-GOSISDBHSA-N
MW325.41 g/mol
LogP4.64
Rot. Bonds3

About [(1S)-6-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]carbamic acid

[(1S)-6-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]carbamic acid (PubChem CID 174226515) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is [(1S)-6-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]carbamic acid.

Molecular Properties

Compound Name[(1S)-6-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]carbamic acid
PubChem CID174226515
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name[(1S)-6-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]carbamic acid
SMILESCOc1cccc(-c2ccc3c(c2)CCC(C)(C)[C@@H]3NC(=O)O)c1
InChIInChI=1S/C20H23NO3/c1-20(2)10-9-15-11-14(13-5-4-6-16(12-13)24-3)7-8-17(15)18(20)21-19(22)23/h4-8,11-12,18,21H,9-10H2,1-3H3,(H,22,23)/t18-/m1/s1
InChIKeyCQPAKMLCZWARBH-GOSISDBHSA-N
XLogP4.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-6-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]carbamic acid
CID 174172413
[(1S)-2,2-dimethyl-6-(3-propan-2-ylphenyl)-3,4-dihydro-1H-naphthalen-1-yl]carbamic acid
CID 174226543
[(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[6-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]carbamate
CID 156739870
[(1S)-6-(2-fluoro-4-pyridinyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]carbamic acid
CID 174226522
[(1S)-6-(3-chloro-4-propan-2-yloxyphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]carbamic acid
CID 174226475
[(1R)-6-fluoro-5-(3-methoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamic acid
CID 174172406
[(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[2,2-dimethyl-6-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-naphthalen-1-yl]carbamate
CID 156740083
(1S)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 129391570
[(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[(1R)-2,2-dimethyl-6-[3-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-naphthalen-1-yl]carbamate
CID 166127381
[(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[6-(2,5-dimethoxyphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]carbamate
CID 156740006
[6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568925
[(1R)-2,2-dimethyl-5-(3-methyl-4-propoxyphenyl)-1,3-dihydroinden-1-yl]carbamic acid
CID 174172326

Frequently Asked Questions

What is the IUPAC name of [(1S)-6-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]carbamic acid?
The IUPAC name of [(1S)-6-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]carbamic acid (CID 174226515) is [(1S)-6-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]carbamic acid.
What is the SMILES notation for [(1S)-6-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]carbamic acid?
The canonical SMILES for [(1S)-6-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]carbamic acid is COc1cccc(-c2ccc3c(c2)CCC(C)(C)[C@@H]3NC(=O)O)c1.
What is the InChIKey of [(1S)-6-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]carbamic acid?
The InChIKey is CQPAKMLCZWARBH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23NO3/c1-20(2)10-9-15-11-14(13-5-4-6-16(12-13)24-3)7-8-17(15)18(20)21-19(22)23/h4-8,11-12,18,21H,9-10H2,1-3H3,(H,22,23)/t18-/m1/s1.
What are the key properties of [(1S)-6-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]carbamic acid?
[(1S)-6-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]carbamic acid has a molecular weight of 325.41 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-6-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]carbamic acid is sourced from PubChem (CID 174226515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).