methyl N-[1-(oxan-4-yl)-2-oxoethyl]carbamate;naphthalene

C19H23NO4 — CID 161375634

IUPACmethyl N-[1-(oxan-4-yl)-2-oxoethyl]carbamate;naphthalene
SMILESCOC(=O)NC(C=O)C1CCOCC1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C9H15NO4/c1-2-6-10-8-4-3-7-9(10)5-1;1-13-9(12)10-8(6-11)7-2-4-14-5-3-7/h1-8H;6-8H,2-5H2,1H3,(H,10,12)
InChIKeyVRASHHOPTRDJCW-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.18
Rot. Bonds3

About methyl N-[1-(oxan-4-yl)-2-oxoethyl]carbamate;naphthalene

methyl N-[1-(oxan-4-yl)-2-oxoethyl]carbamate;naphthalene (PubChem CID 161375634) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl N-[1-(oxan-4-yl)-2-oxoethyl]carbamate;naphthalene.

Molecular Properties

Compound Namemethyl N-[1-(oxan-4-yl)-2-oxoethyl]carbamate;naphthalene
PubChem CID161375634
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Namemethyl N-[1-(oxan-4-yl)-2-oxoethyl]carbamate;naphthalene
SMILESCOC(=O)NC(C=O)C1CCOCC1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C9H15NO4/c1-2-6-10-8-4-3-7-9(10)5-1;1-13-9(12)10-8(6-11)7-2-4-14-5-3-7/h1-8H;6-8H,2-5H2,1H3,(H,10,12)
InChIKeyVRASHHOPTRDJCW-UHFFFAOYSA-N
XLogP3.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl N-[2-amino-1-(oxan-4-yl)-2-oxoethyl]carbamate
CID 123481327
phenyl N-[1-(oxan-4-yl)ethyl]carbamate
CID 103771775
methyl N-[(1R)-3-methyl-1-(oxan-4-yl)-2-oxobutyl]carbamate
CID 59470809
tert-butyl N-[(1R)-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate
CID 98010402
tert-butyl N-[(1S)-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate
CID 98010403
methyl 2-anilino-2-(oxan-4-yl)acetate
CID 62386905
S-sulfanyl 2-(methoxycarbonylamino)-2-(oxan-4-yl)ethanethioate
CID 123667070
methyl N-[2,2-dimethyl-1-(oxan-4-yl)butyl]carbamate
CID 130436609
methyl N-(1-cyclohexylprop-2-enyl)carbamate
CID 121221949
methanol;methyl N-[(1S)-2-oxo-1-phenylethyl]carbamate
CID 144634454
1-(1-naphthalen-1-ylethyl)-3-[1-(oxan-4-yl)ethyl]urea
CID 136515157
(2S)-2-methoxy-2-(oxan-4-yl)acetaldehyde
CID 124709657

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(oxan-4-yl)-2-oxoethyl]carbamate;naphthalene?
The IUPAC name of methyl N-[1-(oxan-4-yl)-2-oxoethyl]carbamate;naphthalene (CID 161375634) is methyl N-[1-(oxan-4-yl)-2-oxoethyl]carbamate;naphthalene.
What is the SMILES notation for methyl N-[1-(oxan-4-yl)-2-oxoethyl]carbamate;naphthalene?
The canonical SMILES for methyl N-[1-(oxan-4-yl)-2-oxoethyl]carbamate;naphthalene is COC(=O)NC(C=O)C1CCOCC1.c1ccc2ccccc2c1.
What is the InChIKey of methyl N-[1-(oxan-4-yl)-2-oxoethyl]carbamate;naphthalene?
The InChIKey is VRASHHOPTRDJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C9H15NO4/c1-2-6-10-8-4-3-7-9(10)5-1;1-13-9(12)10-8(6-11)7-2-4-14-5-3-7/h1-8H;6-8H,2-5H2,1H3,(H,10,12).
What are the key properties of methyl N-[1-(oxan-4-yl)-2-oxoethyl]carbamate;naphthalene?
methyl N-[1-(oxan-4-yl)-2-oxoethyl]carbamate;naphthalene has a molecular weight of 329.40 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(oxan-4-yl)-2-oxoethyl]carbamate;naphthalene is sourced from PubChem (CID 161375634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).