(3-methylphenyl) N-cyclopentyloxycarbonyliminocarbamate

C14H16N2O4 — CID 140646332

IUPAC(3-methylphenyl) N-cyclopentyloxycarbonyliminocarbamate
SMILESCc1cccc(OC(=O)N=NC(=O)OC2CCCC2)c1
InChIInChI=1S/C14H16N2O4/c1-10-5-4-8-12(9-10)20-14(18)16-15-13(17)19-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7H2,1H3
InChIKeyCUWSXJKCBMKVTL-UHFFFAOYSA-N
MW276.29 g/mol
LogP4.03
Rot. Bonds2

About (3-methylphenyl) N-cyclopentyloxycarbonyliminocarbamate

(3-methylphenyl) N-cyclopentyloxycarbonyliminocarbamate (PubChem CID 140646332) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is (3-methylphenyl) N-cyclopentyloxycarbonyliminocarbamate.

Molecular Properties

Compound Name(3-methylphenyl) N-cyclopentyloxycarbonyliminocarbamate
PubChem CID140646332
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name(3-methylphenyl) N-cyclopentyloxycarbonyliminocarbamate
SMILESCc1cccc(OC(=O)N=NC(=O)OC2CCCC2)c1
InChIInChI=1S/C14H16N2O4/c1-10-5-4-8-12(9-10)20-14(18)16-15-13(17)19-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7H2,1H3
InChIKeyCUWSXJKCBMKVTL-UHFFFAOYSA-N
XLogP4.03
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

propyl N-(3-methylphenoxy)carbonyliminocarbamate
CID 140646300
(3-methylphenyl) N-heptoxycarbonyliminocarbamate
CID 140646181
cyclopentyl N-cyclohexyloxycarbonyliminocarbamate
CID 140646211
bis(3-methylphenyl) bicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
CID 142747872
(3-methylphenoxy)cyclononane
CID 145391482
(3-methylphenyl) N-(cyclopentylmethyl)carbamate
CID 141077229
cyclobutyl 3-methylbenzoate
CID 530470
(3-methylphenyl) 3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 8764842
(1-methylpiperidin-1-ium-3-yl) 2-(3-methylphenoxy)acetate chloride
CID 44657021
bis(3-methylphenyl) pentanedioate
CID 70246036
cyclohexyl 2-methyl-3-(3-methylphenyl)propanoate
CID 139473616
N-cyclododecyl-2-(3-methylphenoxy)propanamide
CID 3912808

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl) N-cyclopentyloxycarbonyliminocarbamate?
The IUPAC name of (3-methylphenyl) N-cyclopentyloxycarbonyliminocarbamate (CID 140646332) is (3-methylphenyl) N-cyclopentyloxycarbonyliminocarbamate.
What is the SMILES notation for (3-methylphenyl) N-cyclopentyloxycarbonyliminocarbamate?
The canonical SMILES for (3-methylphenyl) N-cyclopentyloxycarbonyliminocarbamate is Cc1cccc(OC(=O)N=NC(=O)OC2CCCC2)c1.
What is the InChIKey of (3-methylphenyl) N-cyclopentyloxycarbonyliminocarbamate?
The InChIKey is CUWSXJKCBMKVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-10-5-4-8-12(9-10)20-14(18)16-15-13(17)19-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7H2,1H3.
What are the key properties of (3-methylphenyl) N-cyclopentyloxycarbonyliminocarbamate?
(3-methylphenyl) N-cyclopentyloxycarbonyliminocarbamate has a molecular weight of 276.29 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl) N-cyclopentyloxycarbonyliminocarbamate is sourced from PubChem (CID 140646332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).