3-(2-iodophenyl)-1,1-bis(2-methylpropyl)urea

C15H23IN2O — CID 47258185

IUPAC3-(2-iodophenyl)-1,1-bis(2-methylpropyl)urea
SMILESCC(C)CN(CC(C)C)C(=O)Nc1ccccc1I
InChIInChI=1S/C15H23IN2O/c1-11(2)9-18(10-12(3)4)15(19)17-14-8-6-5-7-13(14)16/h5-8,11-12H,9-10H2,1-4H3,(H,17,19)
InChIKeyKVKMVDJKLRQDNF-UHFFFAOYSA-N
MW374.27 g/mol
LogP4.44
Rot. Bonds5

About 3-(2-iodophenyl)-1,1-bis(2-methylpropyl)urea

3-(2-iodophenyl)-1,1-bis(2-methylpropyl)urea (PubChem CID 47258185) has the molecular formula C15H23IN2O and a molecular weight of 374.27 g/mol. Its IUPAC name is 3-(2-iodophenyl)-1,1-bis(2-methylpropyl)urea.

Molecular Properties

Compound Name3-(2-iodophenyl)-1,1-bis(2-methylpropyl)urea
PubChem CID47258185
Molecular FormulaC15H23IN2O
Molecular Weight374.27 g/mol
Exact Mass374.09
IUPAC Name3-(2-iodophenyl)-1,1-bis(2-methylpropyl)urea
SMILESCC(C)CN(CC(C)C)C(=O)Nc1ccccc1I
InChIInChI=1S/C15H23IN2O/c1-11(2)9-18(10-12(3)4)15(19)17-14-8-6-5-7-13(14)16/h5-8,11-12H,9-10H2,1-4H3,(H,17,19)
InChIKeyKVKMVDJKLRQDNF-UHFFFAOYSA-N
XLogP4.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1-bis(2-methylpropyl)-3-naphthalen-1-ylurea
CID 19835720
2-[(2-iodophenyl)carbamoyl-methylamino]propanoic acid
CID 62637000
3-(2-chloro-3-pyridinyl)-1,1-bis(2-methylpropyl)urea
CID 47435216
2-methylpropyl N-(2-iodophenyl)carbamate
CID 546432
(2S)-2-amino-N-(2-iodophenyl)propanamide
CID 28882935
3-(1-ethylindol-3-yl)-1,1-bis(2-methylpropyl)urea
CID 40519593
3-[2-[[ethyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid
CID 107273985
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-iodophenyl)acetamide
CID 8907392
N-(2-iodophenyl)-2-propan-2-yloxyacetamide
CID 47416512
(2S)-N-(2-iodophenyl)-2-methylsulfanylpropanamide
CID 38886412
N,N-diethyl-2-(2-iodoanilino)propanamide
CID 43113743
2-[2-[[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]amino]phenyl]sulfanylacetamide
CID 78888857

Frequently Asked Questions

What is the IUPAC name of 3-(2-iodophenyl)-1,1-bis(2-methylpropyl)urea?
The IUPAC name of 3-(2-iodophenyl)-1,1-bis(2-methylpropyl)urea (CID 47258185) is 3-(2-iodophenyl)-1,1-bis(2-methylpropyl)urea.
What is the SMILES notation for 3-(2-iodophenyl)-1,1-bis(2-methylpropyl)urea?
The canonical SMILES for 3-(2-iodophenyl)-1,1-bis(2-methylpropyl)urea is CC(C)CN(CC(C)C)C(=O)Nc1ccccc1I.
What is the InChIKey of 3-(2-iodophenyl)-1,1-bis(2-methylpropyl)urea?
The InChIKey is KVKMVDJKLRQDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23IN2O/c1-11(2)9-18(10-12(3)4)15(19)17-14-8-6-5-7-13(14)16/h5-8,11-12H,9-10H2,1-4H3,(H,17,19).
What are the key properties of 3-(2-iodophenyl)-1,1-bis(2-methylpropyl)urea?
3-(2-iodophenyl)-1,1-bis(2-methylpropyl)urea has a molecular weight of 374.27 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodophenyl)-1,1-bis(2-methylpropyl)urea is sourced from PubChem (CID 47258185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).