1-[2-(N-ethyl-3-methylanilino)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

C17H27N3O2 — CID 111618394

IUPAC1-[2-(N-ethyl-3-methylanilino)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESCCN(CCNC(=O)NCC1(CO)CC1)c1cccc(C)c1
InChIInChI=1S/C17H27N3O2/c1-3-20(15-6-4-5-14(2)11-15)10-9-18-16(22)19-12-17(13-21)7-8-17/h4-6,11,21H,3,7-10,12-13H2,1-2H3,(H2,18,19,22)
InChIKeyIJHIEDCKNDELBF-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.89
Rot. Bonds8

About 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

1-[2-(N-ethyl-3-methylanilino)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (PubChem CID 111618394) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-[2-(N-ethyl-3-methylanilino)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
PubChem CID111618394
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-[2-(N-ethyl-3-methylanilino)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESCCN(CCNC(=O)NCC1(CO)CC1)c1cccc(C)c1
InChIInChI=1S/C17H27N3O2/c1-3-20(15-6-4-5-14(2)11-15)10-9-18-16(22)19-12-17(13-21)7-8-17/h4-6,11,21H,3,7-10,12-13H2,1-2H3,(H2,18,19,22)
InChIKeyIJHIEDCKNDELBF-UHFFFAOYSA-N
XLogP1.89
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
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
2,2-dichloro-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopropane-1-carboxamide
CID 78833214
N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide
CID 51151803
N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
CID 109016337
2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol
CID 67646691
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119831783
2-[cyclopropyl(ethyl)amino]-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 112826130
1-(4-bromo-2-fluorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
CID 3339643
N-[2-(N-ethyl-3-methylanilino)ethyl]furan-2-carboxamide
CID 51193709
2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 119831753

Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (CID 111618394) is 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is CCN(CCNC(=O)NCC1(CO)CC1)c1cccc(C)c1.
What is the InChIKey of 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The InChIKey is IJHIEDCKNDELBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-3-20(15-6-4-5-14(2)11-15)10-9-18-16(22)19-12-17(13-21)7-8-17/h4-6,11,21H,3,7-10,12-13H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea has a molecular weight of 305.42 g/mol, XLogP of 1.89, 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-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 111618394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).