benzyl N-[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamate

C18H20N2O4 — CID 4935787

IUPACbenzyl N-[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamate
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)OCc1ccccc1
InChIInChI=1S/C18H20N2O4/c1-13-7-6-8-14(2)17(13)23-12-16(21)19-20-18(22)24-11-15-9-4-3-5-10-15/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFWOLNQFRUGCNDB-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.64
Rot. Bonds5

About benzyl N-[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamate

benzyl N-[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamate (PubChem CID 4935787) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is benzyl N-[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamate.

Molecular Properties

Compound Namebenzyl N-[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamate
PubChem CID4935787
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Namebenzyl N-[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamate
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)OCc1ccccc1
InChIInChI=1S/C18H20N2O4/c1-13-7-6-8-14(2)17(13)23-12-16(21)19-20-18(22)24-11-15-9-4-3-5-10-15/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFWOLNQFRUGCNDB-UHFFFAOYSA-N
XLogP2.64
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
CID 4503699
benzyl N-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamate
CID 4935779
2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide
CID 116820679
(2-methylphenyl)methyl N-[(2-phenylacetyl)amino]carbamate
CID 5141058
[1-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 18158810
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
benzyl N-[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamate
CID 4935782
benzyl N-[(2-naphthalen-2-yloxyacetyl)amino]carbamate
CID 4935803
benzyl N-(carbamoylamino)carbamate
CID 141421180
(E)-4-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-4-oxobut-2-enoic acid
CID 6131518
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoic acid
CID 5046071
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
CID 3341673

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamate?
The IUPAC name of benzyl N-[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamate (CID 4935787) is benzyl N-[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamate.
What is the SMILES notation for benzyl N-[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamate?
The canonical SMILES for benzyl N-[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamate is Cc1cccc(C)c1OCC(=O)NNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamate?
The InChIKey is FWOLNQFRUGCNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-13-7-6-8-14(2)17(13)23-12-16(21)19-20-18(22)24-11-15-9-4-3-5-10-15/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of benzyl N-[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamate?
benzyl N-[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamate has a molecular weight of 328.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamate is sourced from PubChem (CID 4935787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).