2-[2-[(4-amino-2-ethylbenzoyl)amino]ethoxy]ethyl carbamate

C14H21N3O4 — CID 175145331

IUPAC2-[2-[(4-amino-2-ethylbenzoyl)amino]ethoxy]ethyl carbamate
SMILESCCc1cc(N)ccc1C(=O)NCCOCCOC(N)=O
InChIInChI=1S/C14H21N3O4/c1-2-10-9-11(15)3-4-12(10)13(18)17-5-6-20-7-8-21-14(16)19/h3-4,9H,2,5-8,15H2,1H3,(H2,16,19)(H,17,18)
InChIKeyWXRKOROXUOBNSK-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.67
Rot. Bonds8

About 2-[2-[(4-amino-2-ethylbenzoyl)amino]ethoxy]ethyl carbamate

2-[2-[(4-amino-2-ethylbenzoyl)amino]ethoxy]ethyl carbamate (PubChem CID 175145331) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[2-[(4-amino-2-ethylbenzoyl)amino]ethoxy]ethyl carbamate.

Molecular Properties

Compound Name2-[2-[(4-amino-2-ethylbenzoyl)amino]ethoxy]ethyl carbamate
PubChem CID175145331
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-[2-[(4-amino-2-ethylbenzoyl)amino]ethoxy]ethyl carbamate
SMILESCCc1cc(N)ccc1C(=O)NCCOCCOC(N)=O
InChIInChI=1S/C14H21N3O4/c1-2-10-9-11(15)3-4-12(10)13(18)17-5-6-20-7-8-21-14(16)19/h3-4,9H,2,5-8,15H2,1H3,(H2,16,19)(H,17,18)
InChIKeyWXRKOROXUOBNSK-UHFFFAOYSA-N
XLogP0.67
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylbenzamide
CID 167303302
5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride
CID 120620370
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylbenzamide
CID 106233435
5-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide;hydrochloride
CID 120620047
4-amino-N-(2-but-3-enoxyethyl)-2-methoxybenzamide
CID 106391867
5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
CID 55083724
5-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide
CID 106391871
5-amino-N-(2-butoxyethyl)-2-nitrobenzamide
CID 62186340
4-amino-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]benzamide
CID 104559956
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluorobenzamide
CID 106233330
2-[(2-amino-5-bromobenzoyl)amino]ethyl carbamate
CID 83203569
2-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide
CID 62511103

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-amino-2-ethylbenzoyl)amino]ethoxy]ethyl carbamate?
The IUPAC name of 2-[2-[(4-amino-2-ethylbenzoyl)amino]ethoxy]ethyl carbamate (CID 175145331) is 2-[2-[(4-amino-2-ethylbenzoyl)amino]ethoxy]ethyl carbamate.
What is the SMILES notation for 2-[2-[(4-amino-2-ethylbenzoyl)amino]ethoxy]ethyl carbamate?
The canonical SMILES for 2-[2-[(4-amino-2-ethylbenzoyl)amino]ethoxy]ethyl carbamate is CCc1cc(N)ccc1C(=O)NCCOCCOC(N)=O.
What is the InChIKey of 2-[2-[(4-amino-2-ethylbenzoyl)amino]ethoxy]ethyl carbamate?
The InChIKey is WXRKOROXUOBNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-2-10-9-11(15)3-4-12(10)13(18)17-5-6-20-7-8-21-14(16)19/h3-4,9H,2,5-8,15H2,1H3,(H2,16,19)(H,17,18).
What are the key properties of 2-[2-[(4-amino-2-ethylbenzoyl)amino]ethoxy]ethyl carbamate?
2-[2-[(4-amino-2-ethylbenzoyl)amino]ethoxy]ethyl carbamate has a molecular weight of 295.34 g/mol, XLogP of 0.67, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-amino-2-ethylbenzoyl)amino]ethoxy]ethyl carbamate is sourced from PubChem (CID 175145331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).