3-[4-[1-(ethylamino)ethyl]phenyl]-1-(2-hydroxypropyl)-1-methylurea

C15H25N3O2 — CID 62338403

IUPAC3-[4-[1-(ethylamino)ethyl]phenyl]-1-(2-hydroxypropyl)-1-methylurea
SMILESCCNC(C)c1ccc(NC(=O)N(C)CC(C)O)cc1
InChIInChI=1S/C15H25N3O2/c1-5-16-12(3)13-6-8-14(9-7-13)17-15(20)18(4)10-11(2)19/h6-9,11-12,16,19H,5,10H2,1-4H3,(H,17,20)
InChIKeyQZHDNHKTPPWQDE-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.20
Rot. Bonds6

About 3-[4-[1-(ethylamino)ethyl]phenyl]-1-(2-hydroxypropyl)-1-methylurea

3-[4-[1-(ethylamino)ethyl]phenyl]-1-(2-hydroxypropyl)-1-methylurea (PubChem CID 62338403) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[4-[1-(ethylamino)ethyl]phenyl]-1-(2-hydroxypropyl)-1-methylurea.

Molecular Properties

Compound Name3-[4-[1-(ethylamino)ethyl]phenyl]-1-(2-hydroxypropyl)-1-methylurea
PubChem CID62338403
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-[4-[1-(ethylamino)ethyl]phenyl]-1-(2-hydroxypropyl)-1-methylurea
SMILESCCNC(C)c1ccc(NC(=O)N(C)CC(C)O)cc1
InChIInChI=1S/C15H25N3O2/c1-5-16-12(3)13-6-8-14(9-7-13)17-15(20)18(4)10-11(2)19/h6-9,11-12,16,19H,5,10H2,1-4H3,(H,17,20)
InChIKeyQZHDNHKTPPWQDE-UHFFFAOYSA-N
XLogP2.20
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea
CID 81043794
3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(2-methylbutan-2-yl)urea
CID 63962271
1-(cyclobutylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea
CID 62854786
3-(4-fluorophenyl)-1-[(2R)-2-hydroxypropyl]-1-methylurea
CID 27209701
1,1-bis(cyanomethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 61342198
1-(2-hydroxypropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
CID 62333331
N-[4-[1-(ethylamino)ethyl]phenyl]-2-phenylacetamide
CID 43507673
2-[4-[[2-hydroxypropyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid
CID 80549715
1-[4-[1-(ethylamino)ethyl]-N-methylanilino]propan-2-ol
CID 62333161
3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(oxolan-3-yl)urea
CID 82730912
N-[4-[1-(ethylamino)ethyl]phenyl]-2-propan-2-yloxyacetamide
CID 112602421
N-[4-[1-(ethylamino)ethyl]phenyl]-3,4-dimethylpyrrolidine-1-carboxamide
CID 79179400

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(ethylamino)ethyl]phenyl]-1-(2-hydroxypropyl)-1-methylurea?
The IUPAC name of 3-[4-[1-(ethylamino)ethyl]phenyl]-1-(2-hydroxypropyl)-1-methylurea (CID 62338403) is 3-[4-[1-(ethylamino)ethyl]phenyl]-1-(2-hydroxypropyl)-1-methylurea.
What is the SMILES notation for 3-[4-[1-(ethylamino)ethyl]phenyl]-1-(2-hydroxypropyl)-1-methylurea?
The canonical SMILES for 3-[4-[1-(ethylamino)ethyl]phenyl]-1-(2-hydroxypropyl)-1-methylurea is CCNC(C)c1ccc(NC(=O)N(C)CC(C)O)cc1.
What is the InChIKey of 3-[4-[1-(ethylamino)ethyl]phenyl]-1-(2-hydroxypropyl)-1-methylurea?
The InChIKey is QZHDNHKTPPWQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-16-12(3)13-6-8-14(9-7-13)17-15(20)18(4)10-11(2)19/h6-9,11-12,16,19H,5,10H2,1-4H3,(H,17,20).
What are the key properties of 3-[4-[1-(ethylamino)ethyl]phenyl]-1-(2-hydroxypropyl)-1-methylurea?
3-[4-[1-(ethylamino)ethyl]phenyl]-1-(2-hydroxypropyl)-1-methylurea has a molecular weight of 279.38 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(ethylamino)ethyl]phenyl]-1-(2-hydroxypropyl)-1-methylurea is sourced from PubChem (CID 62338403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).