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

C16H27N3O2 — CID 110890686

IUPAC1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)Nc1ccc(N(CC)C(C)C)cc1
InChIInChI=1S/C16H27N3O2/c1-5-13(11-20)17-16(21)18-14-7-9-15(10-8-14)19(6-2)12(3)4/h7-10,12-13,20H,5-6,11H2,1-4H3,(H2,17,18,21)
InChIKeyLVKVOJZHUIZXIH-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.81
Rot. Bonds7

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

1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxybutan-2-yl)urea (PubChem CID 110890686) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxybutan-2-yl)urea.

Molecular Properties

Compound Name1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxybutan-2-yl)urea
PubChem CID110890686
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)Nc1ccc(N(CC)C(C)C)cc1
InChIInChI=1S/C16H27N3O2/c1-5-13(11-20)17-16(21)18-14-7-9-15(10-8-14)19(6-2)12(3)4/h7-10,12-13,20H,5-6,11H2,1-4H3,(H2,17,18,21)
InChIKeyLVKVOJZHUIZXIH-UHFFFAOYSA-N
XLogP2.81
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111925858
3-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylpropanamide
CID 62727901
2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2404780
1-(1-hydroxybutan-2-yl)-3-[3-[methyl(propan-2-yl)amino]phenyl]urea
CID 111111753
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-[6-(diethylamino)-3-pyridinyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 94168619
1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-propan-2-ylthiourea
CID 8616060
1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea
CID 108894071
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
2-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylbutanamide
CID 79804762

Frequently Asked Questions

What is the IUPAC name of 1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxybutan-2-yl)urea?
The IUPAC name of 1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxybutan-2-yl)urea (CID 110890686) is 1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxybutan-2-yl)urea.
What is the SMILES notation for 1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxybutan-2-yl)urea?
The canonical SMILES for 1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxybutan-2-yl)urea is CCC(CO)NC(=O)Nc1ccc(N(CC)C(C)C)cc1.
What is the InChIKey of 1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxybutan-2-yl)urea?
The InChIKey is LVKVOJZHUIZXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-13(11-20)17-16(21)18-14-7-9-15(10-8-14)19(6-2)12(3)4/h7-10,12-13,20H,5-6,11H2,1-4H3,(H2,17,18,21).
What are the key properties of 1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxybutan-2-yl)urea?
1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxybutan-2-yl)urea has a molecular weight of 293.41 g/mol, XLogP of 2.81, 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-hydroxybutan-2-yl)urea is sourced from PubChem (CID 110890686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).