2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate

C18H20N2O4 — CID 176596945

IUPAC2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)OCCOC(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C18H20N2O4/c1-13-5-3-7-15(11-13)19-17(21)23-9-10-24-18(22)20-16-8-4-6-14(2)12-16/h3-8,11-12H,9-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyNRVUXFJXZKNEKX-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.10
Rot. Bonds5

About 2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate

2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate (PubChem CID 176596945) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate.

Molecular Properties

Compound Name2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
PubChem CID176596945
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)OCCOC(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C18H20N2O4/c1-13-5-3-7-15(11-13)19-17(21)23-9-10-24-18(22)20-16-8-4-6-14(2)12-16/h3-8,11-12H,9-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyNRVUXFJXZKNEKX-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)ethyl N-(3-methylphenyl)carbamate
CID 79338222
2-[(3-methylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 164980144
2-(dimethylamino)ethyl N-(3-methylphenyl)carbamate
CID 44722441
(2-amino-2-ethylbutyl) N-(3-methylphenyl)carbamate
CID 79338375
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
2-methoxyethyl N-[3-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]carbamate
CID 76870567
propyl N-(3-bromophenyl)carbamate
CID 19165876
ethyl N-[(3-methylphenyl)carbamoyl]carbamate
CID 59576587
N-(3-methylphenyl)acetamide
CID 10843
2-methoxyethyl N-[3-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]phenyl]carbamate
CID 47740999
2-methoxyethyl N-[3-[3-(2,4-dimethylphenyl)prop-2-enoylamino]phenyl]carbamate
CID 75269062
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate?
The IUPAC name of 2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate (CID 176596945) is 2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate.
What is the SMILES notation for 2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate?
The canonical SMILES for 2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate is Cc1cccc(NC(=O)OCCOC(=O)Nc2cccc(C)c2)c1.
What is the InChIKey of 2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate?
The InChIKey is NRVUXFJXZKNEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-13-5-3-7-15(11-13)19-17(21)23-9-10-24-18(22)20-16-8-4-6-14(2)12-16/h3-8,11-12H,9-10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate?
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate has a molecular weight of 328.37 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate is sourced from PubChem (CID 176596945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).