1-(4-methoxyphenyl)-3-propan-2-ylurea

C11H16N2O2 — CID 4616042

IUPAC1-(4-methoxyphenyl)-3-propan-2-ylurea
SMILESCOc1ccc(NC(=O)NC(C)C)cc1
InChIInChI=1S/C11H16N2O2/c1-8(2)12-11(14)13-9-4-6-10(15-3)7-5-9/h4-8H,1-3H3,(H2,12,13,14)
InChIKeyYOPOSDNKKHJOAM-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.23
Rot. Bonds3

About 1-(4-methoxyphenyl)-3-propan-2-ylurea

1-(4-methoxyphenyl)-3-propan-2-ylurea (PubChem CID 4616042) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-propan-2-ylurea
PubChem CID4616042
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(4-methoxyphenyl)-3-propan-2-ylurea
SMILESCOc1ccc(NC(=O)NC(C)C)cc1
InChIInChI=1S/C11H16N2O2/c1-8(2)12-11(14)13-9-4-6-10(15-3)7-5-9/h4-8H,1-3H3,(H2,12,13,14)
InChIKeyYOPOSDNKKHJOAM-UHFFFAOYSA-N
XLogP2.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(4-methoxyphenyl)urea
CID 139045428
(2S)-2-[(4-methoxyphenyl)carbamoylamino]propanoate
CID 7647483
1-[4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]phenyl]-3-propan-2-ylurea
CID 47052745
3-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
CID 16772859
1-[6-(4-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113048339
1-benzhydryl-3-(4-methoxyphenyl)urea
CID 11602403
methyl (2S,3R)-2-[(4-methoxyphenyl)carbamoylamino]-3-methylpentanoate
CID 944653
1-[5-(4-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113034206
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 48503063
1-(4-bromophenyl)-3-propan-2-ylurea
CID 3403454
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845
2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
CID 43469978

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-propan-2-ylurea?
The IUPAC name of 1-(4-methoxyphenyl)-3-propan-2-ylurea (CID 4616042) is 1-(4-methoxyphenyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-propan-2-ylurea is COc1ccc(NC(=O)NC(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-propan-2-ylurea?
The InChIKey is YOPOSDNKKHJOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(2)12-11(14)13-9-4-6-10(15-3)7-5-9/h4-8H,1-3H3,(H2,12,13,14).
What are the key properties of 1-(4-methoxyphenyl)-3-propan-2-ylurea?
1-(4-methoxyphenyl)-3-propan-2-ylurea has a molecular weight of 208.26 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-propan-2-ylurea is sourced from PubChem (CID 4616042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).