1-[2-(dimethylamino)ethyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea

C16H27N3O2 — CID 112974406

IUPAC1-[2-(dimethylamino)ethyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
SMILESCc1cc(C)c(OCCNC(=O)NCCN(C)C)cc1C
InChIInChI=1S/C16H27N3O2/c1-12-10-14(3)15(11-13(12)2)21-9-7-18-16(20)17-6-8-19(4)5/h10-11H,6-9H2,1-5H3,(H2,17,18,20)
InChIKeyOOXGCRIHGUKNQR-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.85
Rot. Bonds7

About 1-[2-(dimethylamino)ethyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea

1-[2-(dimethylamino)ethyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea (PubChem CID 112974406) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
PubChem CID112974406
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-[2-(dimethylamino)ethyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
SMILESCc1cc(C)c(OCCNC(=O)NCCN(C)C)cc1C
InChIInChI=1S/C16H27N3O2/c1-12-10-14(3)15(11-13(12)2)21-9-7-18-16(20)17-6-8-19(4)5/h10-11H,6-9H2,1-5H3,(H2,17,18,20)
InChIKeyOOXGCRIHGUKNQR-UHFFFAOYSA-N
XLogP1.85
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973611
1-[2-(dimethylamino)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974554
methyl N-[2-(2,4,5-trimethylphenoxy)ethyl]carbamate
CID 113101254
1-[2-(dimethylamino)ethyl]-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974258
1-(4-methylphenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974475
1-(3-phenylpropyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974458
1-[(2-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974424
1-[(4-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974425
1-(2-morpholin-4-ylethyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974407
1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975956
N-[3-[2-(2,4,5-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112974507
1-(3,4-difluorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974535

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea (CID 112974406) is 1-[2-(dimethylamino)ethyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea is Cc1cc(C)c(OCCNC(=O)NCCN(C)C)cc1C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea?
The InChIKey is OOXGCRIHGUKNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12-10-14(3)15(11-13(12)2)21-9-7-18-16(20)17-6-8-19(4)5/h10-11H,6-9H2,1-5H3,(H2,17,18,20).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea?
1-[2-(dimethylamino)ethyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea has a molecular weight of 293.41 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea is sourced from PubChem (CID 112974406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).