1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea

C15H25N3O2 — CID 110892216

IUPAC1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
SMILESCCN(CCNC(=O)NCCCO)c1cccc(C)c1
InChIInChI=1S/C15H25N3O2/c1-3-18(14-7-4-6-13(2)12-14)10-9-17-15(20)16-8-5-11-19/h4,6-7,12,19H,3,5,8-11H2,1-2H3,(H2,16,17,20)
InChIKeyXPEUTICLZORXRL-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.50
Rot. Bonds8

About 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea

1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea (PubChem CID 110892216) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
PubChem CID110892216
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
SMILESCCN(CCNC(=O)NCCCO)c1cccc(C)c1
InChIInChI=1S/C15H25N3O2/c1-3-18(14-7-4-6-13(2)12-14)10-9-17-15(20)16-8-5-11-19/h4,6-7,12,19H,3,5,8-11H2,1-2H3,(H2,16,17,20)
InChIKeyXPEUTICLZORXRL-UHFFFAOYSA-N
XLogP1.50
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.50
H-Bond Donors ≤ 53
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-(N-ethyl-3-methylanilino)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618394
1-(2,6-diethylphenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
CID 3741166
1-(3-bromophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
CID 3498030
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119831783
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51112446
N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide
CID 51151803
1-(4-bromo-2-fluorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
CID 3339643
N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
CID 109016337
2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 119831753
N-[2-(N-ethyl-3-methylanilino)ethyl]furan-2-carboxamide
CID 51193709
4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide
CID 120564241

Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea?
The IUPAC name of 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea (CID 110892216) is 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea?
The canonical SMILES for 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea is CCN(CCNC(=O)NCCCO)c1cccc(C)c1.
What is the InChIKey of 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea?
The InChIKey is XPEUTICLZORXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-18(14-7-4-6-13(2)12-14)10-9-17-15(20)16-8-5-11-19/h4,6-7,12,19H,3,5,8-11H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea?
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea has a molecular weight of 279.38 g/mol, XLogP of 1.50, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea is sourced from PubChem (CID 110892216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).