[4-[2-(dimethylamino)ethyl]phenyl]urea

C11H17N3O — CID 150231962

IUPAC[4-[2-(dimethylamino)ethyl]phenyl]urea
SMILESCN(C)CCc1ccc(NC(N)=O)cc1
InChIInChI=1S/C11H17N3O/c1-14(2)8-7-9-3-5-10(6-4-9)13-11(12)15/h3-6H,7-8H2,1-2H3,(H3,12,13,15)
InChIKeyFVRGEQNLLCSKCJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.28
Rot. Bonds4

About [4-[2-(dimethylamino)ethyl]phenyl]urea

[4-[2-(dimethylamino)ethyl]phenyl]urea (PubChem CID 150231962) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[2-(dimethylamino)ethyl]phenyl]urea
PubChem CID150231962
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name[4-[2-(dimethylamino)ethyl]phenyl]urea
SMILESCN(C)CCc1ccc(NC(N)=O)cc1
InChIInChI=1S/C11H17N3O/c1-14(2)8-7-9-3-5-10(6-4-9)13-11(12)15/h3-6H,7-8H2,1-2H3,(H3,12,13,15)
InChIKeyFVRGEQNLLCSKCJ-UHFFFAOYSA-N
XLogP1.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-chloroethyl)phenyl]urea
CID 70156688
dimethyl (E)-2-[4-[2-(dimethylamino)ethyl]anilino]but-2-enedioate
CID 168568822
[4-[1-[2-(dimethylamino)ethylamino]ethyl]phenyl]urea
CID 43754835
3-[[(4-carbamoylphenyl)carbamoylamino]methyl]-N-[4-[2-(dimethylamino)ethyl]phenyl]benzamide
CID 59190802
3-(dimethylamino)-N-[4-[[4-[3-(dimethylamino)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139956232
2-(2-chloro-3-pyridinyl)-N-[4-[2-(dimethylamino)ethyl]phenyl]acetamide
CID 126836207
N-[4-[2-(dimethylamino)ethyl]phenyl]-2,2-dioxo-2λ6-thiaspiro[3.3]heptane-6-carboxamide
CID 167764155
[4-(carbamoylamino)phenyl]methyliodanuidylformamide
CID 163459688
[4-(diethylamino)phenyl]urea;hydrochloride
CID 140506859
N-[2-[[4-(carbamoylamino)phenyl]methylamino]-2-oxoethyl]-N-methylbenzamide
CID 86923192
4-(carbamoylamino)-N-[(3,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 26069791
N-[4-(aminomethyl)phenyl]-3-[2-(dimethylamino)ethyl-methylamino]propanamide
CID 63694622

Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)ethyl]phenyl]urea?
The IUPAC name of [4-[2-(dimethylamino)ethyl]phenyl]urea (CID 150231962) is [4-[2-(dimethylamino)ethyl]phenyl]urea.
What is the SMILES notation for [4-[2-(dimethylamino)ethyl]phenyl]urea?
The canonical SMILES for [4-[2-(dimethylamino)ethyl]phenyl]urea is CN(C)CCc1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[2-(dimethylamino)ethyl]phenyl]urea?
The InChIKey is FVRGEQNLLCSKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-14(2)8-7-9-3-5-10(6-4-9)13-11(12)15/h3-6H,7-8H2,1-2H3,(H3,12,13,15).
What are the key properties of [4-[2-(dimethylamino)ethyl]phenyl]urea?
[4-[2-(dimethylamino)ethyl]phenyl]urea has a molecular weight of 207.28 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)ethyl]phenyl]urea is sourced from PubChem (CID 150231962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).