1-[(4-cyanobenzoyl)amino]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea

C19H24N4O2 — CID 49124609

IUPAC1-[(4-cyanobenzoyl)amino]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
SMILESCC1(C)C2CCC1(C)C(NC(=O)NNC(=O)c1ccc(C#N)cc1)C2
InChIInChI=1S/C19H24N4O2/c1-18(2)14-8-9-19(18,3)15(10-14)21-17(25)23-22-16(24)13-6-4-12(11-20)5-7-13/h4-7,14-15H,8-10H2,1-3H3,(H,22,24)(H2,21,23,25)
InChIKeyRUUZFJQWMQAFPH-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.72
Rot. Bonds2

About 1-[(4-cyanobenzoyl)amino]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea

1-[(4-cyanobenzoyl)amino]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea (PubChem CID 49124609) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[(4-cyanobenzoyl)amino]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea.

Molecular Properties

Compound Name1-[(4-cyanobenzoyl)amino]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
PubChem CID49124609
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[(4-cyanobenzoyl)amino]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
SMILESCC1(C)C2CCC1(C)C(NC(=O)NNC(=O)c1ccc(C#N)cc1)C2
InChIInChI=1S/C19H24N4O2/c1-18(2)14-8-9-19(18,3)15(10-14)21-17(25)23-22-16(24)13-6-4-12(11-20)5-7-13/h4-7,14-15H,8-10H2,1-3H3,(H,22,24)(H2,21,23,25)
InChIKeyRUUZFJQWMQAFPH-UHFFFAOYSA-N
XLogP2.72
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
CID 892493
4-iodo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 60629735
4-(dimethylsulfamoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 55335277
3-bromo-4-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 107951700
1-(4-methylphenyl)-3-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
CID 100845970
ethyl N-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]carbamoylamino]carbamate
CID 99952297
1-(3-phenylprop-2-ynyl)-3-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
CID 98311818
1-[(1S,2R)-2-methylcyclopropyl]-3-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
CID 124858894
4-pyrazol-1-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
CID 98641400
5-bromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thiophene-3-carboxamide
CID 55026651
2,4-dibromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 107951697
N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-6-carboxamide
CID 98785961

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyanobenzoyl)amino]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea?
The IUPAC name of 1-[(4-cyanobenzoyl)amino]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea (CID 49124609) is 1-[(4-cyanobenzoyl)amino]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea.
What is the SMILES notation for 1-[(4-cyanobenzoyl)amino]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea?
The canonical SMILES for 1-[(4-cyanobenzoyl)amino]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea is CC1(C)C2CCC1(C)C(NC(=O)NNC(=O)c1ccc(C#N)cc1)C2.
What is the InChIKey of 1-[(4-cyanobenzoyl)amino]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea?
The InChIKey is RUUZFJQWMQAFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-18(2)14-8-9-19(18,3)15(10-14)21-17(25)23-22-16(24)13-6-4-12(11-20)5-7-13/h4-7,14-15H,8-10H2,1-3H3,(H,22,24)(H2,21,23,25).
What are the key properties of 1-[(4-cyanobenzoyl)amino]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea?
1-[(4-cyanobenzoyl)amino]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea has a molecular weight of 340.43 g/mol, XLogP of 2.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyanobenzoyl)amino]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea is sourced from PubChem (CID 49124609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).