phenyl N-(3,4-dihydro-2H-chromen-4-yl)carbamate

C16H15NO3 — CID 60655546

IUPACphenyl N-(3,4-dihydro-2H-chromen-4-yl)carbamate
SMILESO=C(NC1CCOc2ccccc21)Oc1ccccc1
InChIInChI=1S/C16H15NO3/c18-16(20-12-6-2-1-3-7-12)17-14-10-11-19-15-9-5-4-8-13(14)15/h1-9,14H,10-11H2,(H,17,18)
InChIKeySLGYYGGAXXBTEA-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.30
Rot. Bonds2

About phenyl N-(3,4-dihydro-2H-chromen-4-yl)carbamate

phenyl N-(3,4-dihydro-2H-chromen-4-yl)carbamate (PubChem CID 60655546) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is phenyl N-(3,4-dihydro-2H-chromen-4-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(3,4-dihydro-2H-chromen-4-yl)carbamate
PubChem CID60655546
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Namephenyl N-(3,4-dihydro-2H-chromen-4-yl)carbamate
SMILESO=C(NC1CCOc2ccccc21)Oc1ccccc1
InChIInChI=1S/C16H15NO3/c18-16(20-12-6-2-1-3-7-12)17-14-10-11-19-15-9-5-4-8-13(14)15/h1-9,14H,10-11H2,(H,17,18)
InChIKeySLGYYGGAXXBTEA-UHFFFAOYSA-N
XLogP3.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 47008000
(2R)-2-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylacetamide
CID 61180627
(2S)-2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300423
(2S)-2-bromo-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300419
5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
CID 43580055
2-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 43244721
2-benzylsulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18164391
1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 110750051
N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide
CID 16559700
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
N-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methoxyphenyl)propanamide
CID 110750844
2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid
CID 55063461

Frequently Asked Questions

What is the IUPAC name of phenyl N-(3,4-dihydro-2H-chromen-4-yl)carbamate?
The IUPAC name of phenyl N-(3,4-dihydro-2H-chromen-4-yl)carbamate (CID 60655546) is phenyl N-(3,4-dihydro-2H-chromen-4-yl)carbamate.
What is the SMILES notation for phenyl N-(3,4-dihydro-2H-chromen-4-yl)carbamate?
The canonical SMILES for phenyl N-(3,4-dihydro-2H-chromen-4-yl)carbamate is O=C(NC1CCOc2ccccc21)Oc1ccccc1.
What is the InChIKey of phenyl N-(3,4-dihydro-2H-chromen-4-yl)carbamate?
The InChIKey is SLGYYGGAXXBTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-16(20-12-6-2-1-3-7-12)17-14-10-11-19-15-9-5-4-8-13(14)15/h1-9,14H,10-11H2,(H,17,18).
What are the key properties of phenyl N-(3,4-dihydro-2H-chromen-4-yl)carbamate?
phenyl N-(3,4-dihydro-2H-chromen-4-yl)carbamate has a molecular weight of 269.30 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(3,4-dihydro-2H-chromen-4-yl)carbamate is sourced from PubChem (CID 60655546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).