1,3,4-trihydroxybutan-2-yl N-naphthalen-1-ylcarbamate

C15H17NO5 — CID 67868291

IUPAC1,3,4-trihydroxybutan-2-yl N-naphthalen-1-ylcarbamate
SMILESO=C(Nc1cccc2ccccc12)OC(CO)C(O)CO
InChIInChI=1S/C15H17NO5/c17-8-13(19)14(9-18)21-15(20)16-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-14,17-19H,8-9H2,(H,16,20)
InChIKeySPDWFRLBPCTAEA-UHFFFAOYSA-N
MW291.30 g/mol
LogP1.10
Rot. Bonds5

About 1,3,4-trihydroxybutan-2-yl N-naphthalen-1-ylcarbamate

1,3,4-trihydroxybutan-2-yl N-naphthalen-1-ylcarbamate (PubChem CID 67868291) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is 1,3,4-trihydroxybutan-2-yl N-naphthalen-1-ylcarbamate.

Molecular Properties

Compound Name1,3,4-trihydroxybutan-2-yl N-naphthalen-1-ylcarbamate
PubChem CID67868291
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name1,3,4-trihydroxybutan-2-yl N-naphthalen-1-ylcarbamate
SMILESO=C(Nc1cccc2ccccc12)OC(CO)C(O)CO
InChIInChI=1S/C15H17NO5/c17-8-13(19)14(9-18)21-15(20)16-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-14,17-19H,8-9H2,(H,16,20)
InChIKeySPDWFRLBPCTAEA-UHFFFAOYSA-N
XLogP1.10
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

[(E)-[(3E)-3-(naphthalen-1-ylcarbamoyloxyimino)butan-2-ylidene]amino] N-naphthalen-1-ylcarbamate
CID 43835675
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
naphthalen-1-ylurea;hydrochloride
CID 141142203
[(2S)-2-phenylpropyl] N-naphthalen-1-ylcarbamate
CID 102238094
2-(propan-2-ylamino)ethyl N-naphthalen-1-ylcarbamate
CID 79337527
2-hydroxy-3-(naphthalen-1-ylcarbamoylamino)propanamide
CID 107258515
1,3,4,5-tetrahydroxy-N-naphthalen-1-ylcyclohexane-1-carboxamide
CID 86144137
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
3-fluoro-N-naphthalen-1-ylpropanamide
CID 67224476
2-bromo-2-fluoro-N-naphthalen-1-ylacetamide
CID 163361767

Frequently Asked Questions

What is the IUPAC name of 1,3,4-trihydroxybutan-2-yl N-naphthalen-1-ylcarbamate?
The IUPAC name of 1,3,4-trihydroxybutan-2-yl N-naphthalen-1-ylcarbamate (CID 67868291) is 1,3,4-trihydroxybutan-2-yl N-naphthalen-1-ylcarbamate.
What is the SMILES notation for 1,3,4-trihydroxybutan-2-yl N-naphthalen-1-ylcarbamate?
The canonical SMILES for 1,3,4-trihydroxybutan-2-yl N-naphthalen-1-ylcarbamate is O=C(Nc1cccc2ccccc12)OC(CO)C(O)CO.
What is the InChIKey of 1,3,4-trihydroxybutan-2-yl N-naphthalen-1-ylcarbamate?
The InChIKey is SPDWFRLBPCTAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c17-8-13(19)14(9-18)21-15(20)16-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-14,17-19H,8-9H2,(H,16,20).
What are the key properties of 1,3,4-trihydroxybutan-2-yl N-naphthalen-1-ylcarbamate?
1,3,4-trihydroxybutan-2-yl N-naphthalen-1-ylcarbamate has a molecular weight of 291.30 g/mol, XLogP of 1.10, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trihydroxybutan-2-yl N-naphthalen-1-ylcarbamate is sourced from PubChem (CID 67868291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).