3-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-hydroxyethyl)-1-propylurea

C17H29N3O2 — CID 110890683

IUPAC3-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)Nc1ccc(N(CC)C(C)C)cc1
InChIInChI=1S/C17H29N3O2/c1-5-11-19(12-13-21)17(22)18-15-7-9-16(10-8-15)20(6-2)14(3)4/h7-10,14,21H,5-6,11-13H2,1-4H3,(H,18,22)
InChIKeyRTTRIBWCWWNSKH-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.16
Rot. Bonds8

About 3-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-hydroxyethyl)-1-propylurea

3-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-hydroxyethyl)-1-propylurea (PubChem CID 110890683) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-hydroxyethyl)-1-propylurea.

Molecular Properties

Compound Name3-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-hydroxyethyl)-1-propylurea
PubChem CID110890683
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name3-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)Nc1ccc(N(CC)C(C)C)cc1
InChIInChI=1S/C17H29N3O2/c1-5-11-19(12-13-21)17(22)18-15-7-9-16(10-8-15)20(6-2)14(3)4/h7-10,14,21H,5-6,11-13H2,1-4H3,(H,18,22)
InChIKeyRTTRIBWCWWNSKH-UHFFFAOYSA-N
XLogP3.16
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[1-(methylamino)ethyl]phenyl]-1,1-dipropylurea
CID 61339464
2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2404780
3-[4-(1-aminoethyl)phenyl]-1,1-bis(2-hydroxyethyl)urea
CID 61341512
3-[4-[[4-(dipropylcarbamoylamino)phenyl]methyl]phenyl]-1,1-dipropylurea
CID 3593543
3-(4-aminophenyl)-1,1-dipropylurea
CID 43468918
1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 110890686
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide
CID 79202648
3-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylpropanamide
CID 62727901
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide
CID 60641040
2-[cyclohexyl(2-hydroxyethyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 78825041
1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea
CID 60736581
1-ethyl-1-(2-hydroxyethyl)-3-(4-pentylphenyl)urea
CID 110890910

Frequently Asked Questions

What is the IUPAC name of 3-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-hydroxyethyl)-1-propylurea?
The IUPAC name of 3-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-hydroxyethyl)-1-propylurea (CID 110890683) is 3-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-hydroxyethyl)-1-propylurea.
What is the SMILES notation for 3-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-hydroxyethyl)-1-propylurea?
The canonical SMILES for 3-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-hydroxyethyl)-1-propylurea is CCCN(CCO)C(=O)Nc1ccc(N(CC)C(C)C)cc1.
What is the InChIKey of 3-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-hydroxyethyl)-1-propylurea?
The InChIKey is RTTRIBWCWWNSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-5-11-19(12-13-21)17(22)18-15-7-9-16(10-8-15)20(6-2)14(3)4/h7-10,14,21H,5-6,11-13H2,1-4H3,(H,18,22).
What are the key properties of 3-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-hydroxyethyl)-1-propylurea?
3-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-hydroxyethyl)-1-propylurea has a molecular weight of 307.44 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-hydroxyethyl)-1-propylurea is sourced from PubChem (CID 110890683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).