[4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenyl]urea

C17H25N3O — CID 63022469

IUPAC[4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenyl]urea
SMILESCC1(C)C2CCC1(C)C(Nc1ccc(NC(N)=O)cc1)C2
InChIInChI=1S/C17H25N3O/c1-16(2)11-8-9-17(16,3)14(10-11)19-12-4-6-13(7-5-12)20-15(18)21/h4-7,11,14,19H,8-10H2,1-3H3,(H3,18,20,21)
InChIKeyMFWIWLRDYHANEA-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.80
Rot. Bonds3

About [4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenyl]urea

[4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenyl]urea (PubChem CID 63022469) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is [4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenyl]urea.

Molecular Properties

Compound Name[4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenyl]urea
PubChem CID63022469
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name[4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenyl]urea
SMILESCC1(C)C2CCC1(C)C(Nc1ccc(NC(N)=O)cc1)C2
InChIInChI=1S/C17H25N3O/c1-16(2)11-8-9-17(16,3)14(10-11)19-12-4-6-13(7-5-12)20-15(18)21/h4-7,11,14,19H,8-10H2,1-3H3,(H3,18,20,21)
InChIKeyMFWIWLRDYHANEA-UHFFFAOYSA-N
XLogP3.80
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenyl]urea with MolForge

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Related Compounds

(1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine
CID 22629760
N-[4-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]sulfamoyl]phenyl]acetamide
CID 23308718
1-(4-methylphenyl)-3-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
CID 22489459
1-(4-methylphenyl)-3-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
CID 100845970
1,7,7-trimethyl-N-[4-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 171577098
1-[4-(trifluoromethoxy)phenyl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
CID 139210751
[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]urea
CID 79927779
2,6-dichloro-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenol
CID 107679442
2-methyl-N-[4-[[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]carbamoylamino]methyl]phenyl]propanamide
CID 98365189
2-methyl-N-[4-[[[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]carbamoylamino]methyl]phenyl]propanamide
CID 52539263
4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzoic acid
CID 65347721
N-(4-bromo-3-methoxyphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 82857334

Frequently Asked Questions

What is the IUPAC name of [4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenyl]urea?
The IUPAC name of [4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenyl]urea (CID 63022469) is [4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenyl]urea.
What is the SMILES notation for [4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenyl]urea?
The canonical SMILES for [4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenyl]urea is CC1(C)C2CCC1(C)C(Nc1ccc(NC(N)=O)cc1)C2.
What is the InChIKey of [4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenyl]urea?
The InChIKey is MFWIWLRDYHANEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-16(2)11-8-9-17(16,3)14(10-11)19-12-4-6-13(7-5-12)20-15(18)21/h4-7,11,14,19H,8-10H2,1-3H3,(H3,18,20,21).
What are the key properties of [4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenyl]urea?
[4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenyl]urea has a molecular weight of 287.41 g/mol, XLogP of 3.80, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenyl]urea is sourced from PubChem (CID 63022469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).