ethane;1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-3-(3-methylphenyl)urea

C18H26N2O — CID 144607257

IUPACethane;1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-3-(3-methylphenyl)urea
SMILESC=C(/C=C\C(=C)NC(=O)Nc1cccc(C)c1)CC.CC
InChIInChI=1S/C16H20N2O.C2H6/c1-5-12(2)9-10-14(4)17-16(19)18-15-8-6-7-13(3)11-15;1-2/h6-11H,2,4-5H2,1,3H3,(H2,17,18,19);1-2H3/b10-9-;
InChIKeyWUKBUDPFRLWXIT-KVVVOXFISA-N
MW286.42 g/mol
LogP5.18
Rot. Bonds5

About ethane;1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-3-(3-methylphenyl)urea

ethane;1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-3-(3-methylphenyl)urea (PubChem CID 144607257) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is ethane;1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Nameethane;1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-3-(3-methylphenyl)urea
PubChem CID144607257
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Nameethane;1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-3-(3-methylphenyl)urea
SMILESC=C(/C=C\C(=C)NC(=O)Nc1cccc(C)c1)CC.CC
InChIInChI=1S/C16H20N2O.C2H6/c1-5-12(2)9-10-14(4)17-16(19)18-15-8-6-7-13(3)11-15;1-2/h6-11H,2,4-5H2,1,3H3,(H2,17,18,19);1-2H3/b10-9-;
InChIKeyWUKBUDPFRLWXIT-KVVVOXFISA-N
XLogP5.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea
CID 114619451
ethyl N-[(3-methylphenyl)carbamoyl]carbamate
CID 59576587
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
1-(3-methylphenyl)-3-[4-(prop-2-enylcarbamoylamino)phenyl]urea
CID 36517218
N-(3-methylphenyl)acetamide
CID 10843
2-bromo-N-(3-methylphenyl)prop-2-enamide
CID 150882432
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967
1-[4-(diethylamino)phenyl]-3-(3-methylphenyl)urea
CID 71323967
1-(3-methyl-2-oxobutyl)-3-(3-methylphenyl)urea
CID 64994342
1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
CID 2985670

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-3-(3-methylphenyl)urea?
The IUPAC name of ethane;1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-3-(3-methylphenyl)urea (CID 144607257) is ethane;1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-3-(3-methylphenyl)urea.
What is the SMILES notation for ethane;1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-3-(3-methylphenyl)urea?
The canonical SMILES for ethane;1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-3-(3-methylphenyl)urea is C=C(/C=C\C(=C)NC(=O)Nc1cccc(C)c1)CC.CC.
What is the InChIKey of ethane;1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-3-(3-methylphenyl)urea?
The InChIKey is WUKBUDPFRLWXIT-KVVVOXFISA-N. The full InChI is InChI=1S/C16H20N2O.C2H6/c1-5-12(2)9-10-14(4)17-16(19)18-15-8-6-7-13(3)11-15;1-2/h6-11H,2,4-5H2,1,3H3,(H2,17,18,19);1-2H3/b10-9-;.
What are the key properties of ethane;1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-3-(3-methylphenyl)urea?
ethane;1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-3-(3-methylphenyl)urea has a molecular weight of 286.42 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 144607257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).