1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea

C17H29N3O2 — CID 111925858

IUPAC1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
SMILESCCN(c1ccc(NC(=O)NC(C)(CC)CO)cc1)C(C)C
InChIInChI=1S/C17H29N3O2/c1-6-17(5,12-21)19-16(22)18-14-8-10-15(11-9-14)20(7-2)13(3)4/h8-11,13,21H,6-7,12H2,1-5H3,(H2,18,19,22)
InChIKeyMUHBNKKHNVIYSD-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.20
Rot. Bonds7

About 1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea

1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea (PubChem CID 111925858) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
PubChem CID111925858
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
SMILESCCN(c1ccc(NC(=O)NC(C)(CC)CO)cc1)C(C)C
InChIInChI=1S/C17H29N3O2/c1-6-17(5,12-21)19-16(22)18-14-8-10-15(11-9-14)20(7-2)13(3)4/h8-11,13,21H,6-7,12H2,1-5H3,(H2,18,19,22)
InChIKeyMUHBNKKHNVIYSD-UHFFFAOYSA-N
XLogP3.20
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 71924647
2-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylbutanamide
CID 79804762
1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 110890686
2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2404780
3-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylpropanamide
CID 62727901
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide
CID 79202648
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide
CID 60641040
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-phenylurea
CID 4056614
3-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110890683
5-[4-[ethyl(propan-2-yl)amino]anilino]-5-oxopentanoic acid
CID 43399748
4-[ethyl(propan-2-yl)amino]benzoic acid
CID 43265964
1-(4-bromophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111754119

Frequently Asked Questions

What is the IUPAC name of 1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea?
The IUPAC name of 1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea (CID 111925858) is 1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea.
What is the SMILES notation for 1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea?
The canonical SMILES for 1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea is CCN(c1ccc(NC(=O)NC(C)(CC)CO)cc1)C(C)C.
What is the InChIKey of 1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea?
The InChIKey is MUHBNKKHNVIYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-6-17(5,12-21)19-16(22)18-14-8-10-15(11-9-14)20(7-2)13(3)4/h8-11,13,21H,6-7,12H2,1-5H3,(H2,18,19,22).
What are the key properties of 1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea?
1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea has a molecular weight of 307.44 g/mol, XLogP of 3.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea is sourced from PubChem (CID 111925858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).