1-(3-iodophenyl)-3-[3-(2-methylpropoxy)propyl]urea

C14H21IN2O2 — CID 47133549

IUPAC1-(3-iodophenyl)-3-[3-(2-methylpropoxy)propyl]urea
SMILESCC(C)COCCCNC(=O)Nc1cccc(I)c1
InChIInChI=1S/C14H21IN2O2/c1-11(2)10-19-8-4-7-16-14(18)17-13-6-3-5-12(15)9-13/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H2,16,17,18)
InChIKeyHKYILHNQEYYVSA-UHFFFAOYSA-N
MW376.24 g/mol
LogP3.48
Rot. Bonds7

About 1-(3-iodophenyl)-3-[3-(2-methylpropoxy)propyl]urea

1-(3-iodophenyl)-3-[3-(2-methylpropoxy)propyl]urea (PubChem CID 47133549) has the molecular formula C14H21IN2O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is 1-(3-iodophenyl)-3-[3-(2-methylpropoxy)propyl]urea.

Molecular Properties

Compound Name1-(3-iodophenyl)-3-[3-(2-methylpropoxy)propyl]urea
PubChem CID47133549
Molecular FormulaC14H21IN2O2
Molecular Weight376.24 g/mol
Exact Mass376.06
IUPAC Name1-(3-iodophenyl)-3-[3-(2-methylpropoxy)propyl]urea
SMILESCC(C)COCCCNC(=O)Nc1cccc(I)c1
InChIInChI=1S/C14H21IN2O2/c1-11(2)10-19-8-4-7-16-14(18)17-13-6-3-5-12(15)9-13/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H2,16,17,18)
InChIKeyHKYILHNQEYYVSA-UHFFFAOYSA-N
XLogP3.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-methylpropoxy)propyl]-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 47033564
1-(4-tert-butylphenyl)-3-[3-(2-methylpropoxy)propyl]urea
CID 52543250
3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide
CID 51278231
1-[3-(2-methylpropoxy)propyl]-3-(4-nitrophenyl)urea
CID 46493828
1-(2-bromo-4-methylphenyl)-3-[3-(2-methylpropoxy)propyl]urea
CID 47133437
2-[[(3-iodophenyl)carbamoylamino]methyl]-3-methylbutanoic acid
CID 65219781
N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide
CID 55801744
N-[3-(2-methylpropoxy)propyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849686
5-iodo-N-[3-(2-methylpropoxy)propyl]thiophene-3-carboxamide
CID 78949637
1-[2-(2-ethoxyphenyl)ethyl]-3-(3-iodophenyl)urea
CID 3716045
N-[3-(3-phenoxypropylcarbamoylamino)phenyl]acetamide
CID 108883171
N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 60715014

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-3-[3-(2-methylpropoxy)propyl]urea?
The IUPAC name of 1-(3-iodophenyl)-3-[3-(2-methylpropoxy)propyl]urea (CID 47133549) is 1-(3-iodophenyl)-3-[3-(2-methylpropoxy)propyl]urea.
What is the SMILES notation for 1-(3-iodophenyl)-3-[3-(2-methylpropoxy)propyl]urea?
The canonical SMILES for 1-(3-iodophenyl)-3-[3-(2-methylpropoxy)propyl]urea is CC(C)COCCCNC(=O)Nc1cccc(I)c1.
What is the InChIKey of 1-(3-iodophenyl)-3-[3-(2-methylpropoxy)propyl]urea?
The InChIKey is HKYILHNQEYYVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2O2/c1-11(2)10-19-8-4-7-16-14(18)17-13-6-3-5-12(15)9-13/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(3-iodophenyl)-3-[3-(2-methylpropoxy)propyl]urea?
1-(3-iodophenyl)-3-[3-(2-methylpropoxy)propyl]urea has a molecular weight of 376.24 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-3-[3-(2-methylpropoxy)propyl]urea is sourced from PubChem (CID 47133549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).