1-(2-ethyl-6-propan-2-ylphenyl)-3-prop-2-ynylurea

C15H20N2O — CID 3597757

IUPAC1-(2-ethyl-6-propan-2-ylphenyl)-3-prop-2-ynylurea
SMILESC#CCNC(=O)Nc1c(CC)cccc1C(C)C
InChIInChI=1S/C15H20N2O/c1-5-10-16-15(18)17-14-12(6-2)8-7-9-13(14)11(3)4/h1,7-9,11H,6,10H2,2-4H3,(H2,16,17,18)
InChIKeyMJJPZAYJSCTLRU-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.13
Rot. Bonds4

About 1-(2-ethyl-6-propan-2-ylphenyl)-3-prop-2-ynylurea

1-(2-ethyl-6-propan-2-ylphenyl)-3-prop-2-ynylurea (PubChem CID 3597757) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(2-ethyl-6-propan-2-ylphenyl)-3-prop-2-ynylurea.

Molecular Properties

Compound Name1-(2-ethyl-6-propan-2-ylphenyl)-3-prop-2-ynylurea
PubChem CID3597757
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(2-ethyl-6-propan-2-ylphenyl)-3-prop-2-ynylurea
SMILESC#CCNC(=O)Nc1c(CC)cccc1C(C)C
InChIInChI=1S/C15H20N2O/c1-5-10-16-15(18)17-14-12(6-2)8-7-9-13(14)11(3)4/h1,7-9,11H,6,10H2,2-4H3,(H2,16,17,18)
InChIKeyMJJPZAYJSCTLRU-UHFFFAOYSA-N
XLogP3.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2,6-di(propan-2-yl)phenyl]-3-(2-methylpropyl)urea
CID 3588413
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethyl-6-propan-2-ylphenyl)urea
CID 3433248
1-(diaminomethylidene)-3-(2-ethyl-6-propan-2-ylphenyl)urea
CID 22769635
2-ethyl-N-methyl-6-propan-2-ylaniline
CID 131620902
1-[2,6-di(propan-2-yl)phenyl]-3-octadecylurea
CID 10434973
methyl 2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]acetate
CID 162651561
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103405
1-(cyclopropylmethyl)-3-(2-ethyl-6-propan-2-ylphenyl)-1-propylurea
CID 3684138
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide
CID 113000636
4-[(2,6-diethylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 81066208
1-[2,6-di(propan-2-yl)phenyl]-3-sulfanylurea
CID 142150395

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-propan-2-ylphenyl)-3-prop-2-ynylurea?
The IUPAC name of 1-(2-ethyl-6-propan-2-ylphenyl)-3-prop-2-ynylurea (CID 3597757) is 1-(2-ethyl-6-propan-2-ylphenyl)-3-prop-2-ynylurea.
What is the SMILES notation for 1-(2-ethyl-6-propan-2-ylphenyl)-3-prop-2-ynylurea?
The canonical SMILES for 1-(2-ethyl-6-propan-2-ylphenyl)-3-prop-2-ynylurea is C#CCNC(=O)Nc1c(CC)cccc1C(C)C.
What is the InChIKey of 1-(2-ethyl-6-propan-2-ylphenyl)-3-prop-2-ynylurea?
The InChIKey is MJJPZAYJSCTLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-5-10-16-15(18)17-14-12(6-2)8-7-9-13(14)11(3)4/h1,7-9,11H,6,10H2,2-4H3,(H2,16,17,18).
What are the key properties of 1-(2-ethyl-6-propan-2-ylphenyl)-3-prop-2-ynylurea?
1-(2-ethyl-6-propan-2-ylphenyl)-3-prop-2-ynylurea has a molecular weight of 244.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-propan-2-ylphenyl)-3-prop-2-ynylurea is sourced from PubChem (CID 3597757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).