N-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]carbamate

C15H16NO3- — CID 170991435

IUPACN-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]carbamate
SMILESCOc1ccc2cc([C@H](C)CNC(=O)[O-])ccc2c1
InChIInChI=1S/C15H17NO3/c1-10(9-16-15(17)18)11-3-4-13-8-14(19-2)6-5-12(13)7-11/h3-8,10,16H,9H2,1-2H3,(H,17,18)/p-1/t10-/m1/s1
InChIKeyNQZROCCUVCHHBF-SNVBAGLBSA-M
MW258.30 g/mol
LogP1.88
Rot. Bonds4

About N-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]carbamate

N-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]carbamate (PubChem CID 170991435) has the molecular formula C15H16NO3- and a molecular weight of 258.30 g/mol. Its IUPAC name is N-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]carbamate.

Molecular Properties

Compound NameN-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]carbamate
PubChem CID170991435
Molecular FormulaC15H16NO3-
Molecular Weight258.30 g/mol
Exact Mass258.11
IUPAC NameN-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]carbamate
SMILESCOc1ccc2cc([C@H](C)CNC(=O)[O-])ccc2c1
InChIInChI=1S/C15H17NO3/c1-10(9-16-15(17)18)11-3-4-13-8-14(19-2)6-5-12(13)7-11/h3-8,10,16H,9H2,1-2H3,(H,17,18)/p-1/t10-/m1/s1
InChIKeyNQZROCCUVCHHBF-SNVBAGLBSA-M
XLogP1.88
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 9427304
4-(6-methoxynaphthalen-2-yl)-2-oxopentanoic acid
CID 177255800
N-ethyl-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 54856188
(2S)-N-(2-hydroxypropyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 110901591
[(2S)-2-(6-methoxynaphthalen-2-yl)propyl] 2-methylpropanoate
CID 141195522
4-(6-methoxynaphthalen-2-yl)pentanoic acid
CID 113306207
(2S)-N-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9207324
[2-(6-methoxynaphthalen-2-yl)propanoylamino]methyl methanesulfonate
CID 18682703
(2S)-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 93286235
2,5-dimethoxy-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline
CID 54856394
2-methoxy-6-(1-nitrosopropan-2-yl)naphthalene
CID 54435579
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]carbamate?
The IUPAC name of N-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]carbamate (CID 170991435) is N-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]carbamate.
What is the SMILES notation for N-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]carbamate?
The canonical SMILES for N-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]carbamate is COc1ccc2cc([C@H](C)CNC(=O)[O-])ccc2c1.
What is the InChIKey of N-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]carbamate?
The InChIKey is NQZROCCUVCHHBF-SNVBAGLBSA-M. The full InChI is InChI=1S/C15H17NO3/c1-10(9-16-15(17)18)11-3-4-13-8-14(19-2)6-5-12(13)7-11/h3-8,10,16H,9H2,1-2H3,(H,17,18)/p-1/t10-/m1/s1.
What are the key properties of N-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]carbamate?
N-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]carbamate has a molecular weight of 258.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]carbamate is sourced from PubChem (CID 170991435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).