1-[2-(dimethylamino)ethyl]-3-(3-iodo-2-methylphenyl)urea

C12H18IN3O — CID 75519151

IUPAC1-[2-(dimethylamino)ethyl]-3-(3-iodo-2-methylphenyl)urea
SMILESCc1c(I)cccc1NC(=O)NCCN(C)C
InChIInChI=1S/C12H18IN3O/c1-9-10(13)5-4-6-11(9)15-12(17)14-7-8-16(2)3/h4-6H,7-8H2,1-3H3,(H2,14,15,17)
InChIKeyNLIDGWREJKEMNU-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.28
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-3-(3-iodo-2-methylphenyl)urea

1-[2-(dimethylamino)ethyl]-3-(3-iodo-2-methylphenyl)urea (PubChem CID 75519151) has the molecular formula C12H18IN3O and a molecular weight of 347.20 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(3-iodo-2-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-(3-iodo-2-methylphenyl)urea
PubChem CID75519151
Molecular FormulaC12H18IN3O
Molecular Weight347.20 g/mol
Exact Mass347.05
IUPAC Name1-[2-(dimethylamino)ethyl]-3-(3-iodo-2-methylphenyl)urea
SMILESCc1c(I)cccc1NC(=O)NCCN(C)C
InChIInChI=1S/C12H18IN3O/c1-9-10(13)5-4-6-11(9)15-12(17)14-7-8-16(2)3/h4-6H,7-8H2,1-3H3,(H2,14,15,17)
InChIKeyNLIDGWREJKEMNU-UHFFFAOYSA-N
XLogP2.28
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea
CID 978037
1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871524
4-[(3-iodo-2-methylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 114257694
1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)urea
CID 23764430
3-[3-(dimethylamino)propylcarbamoylamino]-2-methylbenzoic acid
CID 62948260
1-[2-(diethylamino)ethyl]-3-(2-iodophenyl)urea
CID 108868960
4-(dimethylamino)-N-[3-[5-[2-(dimethylamino)ethylcarbamoylamino]-6-oxo-1H-pyridin-3-yl]-2-methylphenyl]benzamide
CID 143795824
1-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyphenyl)urea
CID 108988227
(E)-4-[(3-iodo-2-methylphenyl)carbamoylamino]-4-oxobut-2-enoic acid
CID 114257591
1-(2-bromo-4-methylphenyl)-3-[2-(dimethylamino)ethyl]urea
CID 108988244
1-(2,3-dimethylphenyl)-3-(2-hydroxyethyl)urea
CID 47238057
1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride
CID 134126097

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(3-iodo-2-methylphenyl)urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(3-iodo-2-methylphenyl)urea (CID 75519151) is 1-[2-(dimethylamino)ethyl]-3-(3-iodo-2-methylphenyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-(3-iodo-2-methylphenyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-(3-iodo-2-methylphenyl)urea is Cc1c(I)cccc1NC(=O)NCCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(3-iodo-2-methylphenyl)urea?
The InChIKey is NLIDGWREJKEMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3O/c1-9-10(13)5-4-6-11(9)15-12(17)14-7-8-16(2)3/h4-6H,7-8H2,1-3H3,(H2,14,15,17).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(3-iodo-2-methylphenyl)urea?
1-[2-(dimethylamino)ethyl]-3-(3-iodo-2-methylphenyl)urea has a molecular weight of 347.20 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-(3-iodo-2-methylphenyl)urea is sourced from PubChem (CID 75519151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).