1-ethyl-3-[3-(propan-2-ylcarbamoylamino)phenyl]urea

C13H20N4O2 — CID 47202672

IUPAC1-ethyl-3-[3-(propan-2-ylcarbamoylamino)phenyl]urea
SMILESCCNC(=O)Nc1cccc(NC(=O)NC(C)C)c1
InChIInChI=1S/C13H20N4O2/c1-4-14-12(18)16-10-6-5-7-11(8-10)17-13(19)15-9(2)3/h5-9H,4H2,1-3H3,(H2,14,16,18)(H2,15,17,19)
InChIKeyNKRHFZRTEWNIOJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.36
Rot. Bonds4

About 1-ethyl-3-[3-(propan-2-ylcarbamoylamino)phenyl]urea

1-ethyl-3-[3-(propan-2-ylcarbamoylamino)phenyl]urea (PubChem CID 47202672) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-ethyl-3-[3-(propan-2-ylcarbamoylamino)phenyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-(propan-2-ylcarbamoylamino)phenyl]urea
PubChem CID47202672
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-ethyl-3-[3-(propan-2-ylcarbamoylamino)phenyl]urea
SMILESCCNC(=O)Nc1cccc(NC(=O)NC(C)C)c1
InChIInChI=1S/C13H20N4O2/c1-4-14-12(18)16-10-6-5-7-11(8-10)17-13(19)15-9(2)3/h5-9H,4H2,1-3H3,(H2,14,16,18)(H2,15,17,19)
InChIKeyNKRHFZRTEWNIOJ-UHFFFAOYSA-N
XLogP2.36
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55814774
1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
CID 47173712
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
3,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 31873928
N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 78869572
3-(propan-2-ylcarbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 38024268
1-(3-hexan-3-ylphenyl)-3-propan-2-ylurea;molecular hydrogen
CID 142494224
1-amino-N-[3-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119755854
1-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-propan-2-ylurea
CID 60804841
N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47200674
1-[3-(3-hydroxyprop-1-enyl)phenyl]-3-propan-2-ylurea
CID 77340421
N-[3-(2-hydroxypropylcarbamoylamino)phenyl]acetamide
CID 108884122

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(propan-2-ylcarbamoylamino)phenyl]urea?
The IUPAC name of 1-ethyl-3-[3-(propan-2-ylcarbamoylamino)phenyl]urea (CID 47202672) is 1-ethyl-3-[3-(propan-2-ylcarbamoylamino)phenyl]urea.
What is the SMILES notation for 1-ethyl-3-[3-(propan-2-ylcarbamoylamino)phenyl]urea?
The canonical SMILES for 1-ethyl-3-[3-(propan-2-ylcarbamoylamino)phenyl]urea is CCNC(=O)Nc1cccc(NC(=O)NC(C)C)c1.
What is the InChIKey of 1-ethyl-3-[3-(propan-2-ylcarbamoylamino)phenyl]urea?
The InChIKey is NKRHFZRTEWNIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-4-14-12(18)16-10-6-5-7-11(8-10)17-13(19)15-9(2)3/h5-9H,4H2,1-3H3,(H2,14,16,18)(H2,15,17,19).
What are the key properties of 1-ethyl-3-[3-(propan-2-ylcarbamoylamino)phenyl]urea?
1-ethyl-3-[3-(propan-2-ylcarbamoylamino)phenyl]urea has a molecular weight of 264.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(propan-2-ylcarbamoylamino)phenyl]urea is sourced from PubChem (CID 47202672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).