(2,4,5-trimethylphenyl) N-(2-ethoxyethyl)carbamate

C14H21NO3 — CID 57185430

IUPAC(2,4,5-trimethylphenyl) N-(2-ethoxyethyl)carbamate
SMILESCCOCCNC(=O)Oc1cc(C)c(C)cc1C
InChIInChI=1S/C14H21NO3/c1-5-17-7-6-15-14(16)18-13-9-11(3)10(2)8-12(13)4/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeyKHGTZFKBSMIJLQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.74
Rot. Bonds5

About (2,4,5-trimethylphenyl) N-(2-ethoxyethyl)carbamate

(2,4,5-trimethylphenyl) N-(2-ethoxyethyl)carbamate (PubChem CID 57185430) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2,4,5-trimethylphenyl) N-(2-ethoxyethyl)carbamate.

Molecular Properties

Compound Name(2,4,5-trimethylphenyl) N-(2-ethoxyethyl)carbamate
PubChem CID57185430
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(2,4,5-trimethylphenyl) N-(2-ethoxyethyl)carbamate
SMILESCCOCCNC(=O)Oc1cc(C)c(C)cc1C
InChIInChI=1S/C14H21NO3/c1-5-17-7-6-15-14(16)18-13-9-11(3)10(2)8-12(13)4/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeyKHGTZFKBSMIJLQ-UHFFFAOYSA-N
XLogP2.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-(2,4,5-trimethylphenoxy)ethyl]carbamate
CID 113101254
methyl 2-amino-3-(2-ethoxyethylcarbamoyloxy)benzoate
CID 154122397
3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one
CID 105127255
N-(2-ethoxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107023284
[2,5-dimethyl-4-(pentylcarbamoyloxy)phenyl]-ethyl-methylsulfanium
CID 88781269
5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride
CID 120620370
1-(5-chloro-2-methylphenyl)-3-(2-ethoxyethyl)urea
CID 3671934
(2,5-dimethylphenyl) N-(2-aminoethyl)carbamate
CID 82283722
(4-bromo-2-methylphenyl) N-ethylcarbamate
CID 54003233
3-[3-(2-ethoxyethylcarbamoyl)-4-methylphenyl]prop-2-enoic acid
CID 77064809
2-amino-N-(2-ethoxyethyl)-4-methoxybenzamide
CID 115412594
1-[2-(dimethylamino)ethyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974406

Frequently Asked Questions

What is the IUPAC name of (2,4,5-trimethylphenyl) N-(2-ethoxyethyl)carbamate?
The IUPAC name of (2,4,5-trimethylphenyl) N-(2-ethoxyethyl)carbamate (CID 57185430) is (2,4,5-trimethylphenyl) N-(2-ethoxyethyl)carbamate.
What is the SMILES notation for (2,4,5-trimethylphenyl) N-(2-ethoxyethyl)carbamate?
The canonical SMILES for (2,4,5-trimethylphenyl) N-(2-ethoxyethyl)carbamate is CCOCCNC(=O)Oc1cc(C)c(C)cc1C.
What is the InChIKey of (2,4,5-trimethylphenyl) N-(2-ethoxyethyl)carbamate?
The InChIKey is KHGTZFKBSMIJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-17-7-6-15-14(16)18-13-9-11(3)10(2)8-12(13)4/h8-9H,5-7H2,1-4H3,(H,15,16).
What are the key properties of (2,4,5-trimethylphenyl) N-(2-ethoxyethyl)carbamate?
(2,4,5-trimethylphenyl) N-(2-ethoxyethyl)carbamate has a molecular weight of 251.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,5-trimethylphenyl) N-(2-ethoxyethyl)carbamate is sourced from PubChem (CID 57185430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).