(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-[(carbamoylamino)methyl]benzoate

C19H26N2O3 — CID 75524889

IUPAC(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-[(carbamoylamino)methyl]benzoate
SMILESCC1(C)C2CCC1(C)C(OC(=O)c1ccc(CNC(N)=O)cc1)C2
InChIInChI=1S/C19H26N2O3/c1-18(2)14-8-9-19(18,3)15(10-14)24-16(22)13-6-4-12(5-7-13)11-21-17(20)23/h4-7,14-15H,8-11H2,1-3H3,(H3,20,21,23)
InChIKeyUHFDOJAQJIJJTL-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.23
Rot. Bonds4

About (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-[(carbamoylamino)methyl]benzoate

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-[(carbamoylamino)methyl]benzoate (PubChem CID 75524889) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-[(carbamoylamino)methyl]benzoate.

Molecular Properties

Compound Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-[(carbamoylamino)methyl]benzoate
PubChem CID75524889
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-[(carbamoylamino)methyl]benzoate
SMILESCC1(C)C2CCC1(C)C(OC(=O)c1ccc(CNC(N)=O)cc1)C2
InChIInChI=1S/C19H26N2O3/c1-18(2)14-8-9-19(18,3)15(10-14)24-16(22)13-6-4-12(5-7-13)11-21-17(20)23/h4-7,14-15H,8-11H2,1-3H3,(H3,20,21,23)
InChIKeyUHFDOJAQJIJJTL-UHFFFAOYSA-N
XLogP3.23
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-(fluoromethyl)benzoate
CID 140866808
[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] benzoate
CID 100810555
[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-acetyloxybenzoate
CID 162999671
[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-[hydroxy(oxido)amino]benzoate
CID 163144860
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 71902153
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 6-oxopyran-3-carboxylate
CID 112722759
[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-hydroxy-3-methoxybenzoate
CID 16760109
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) pyridine-3-carboxylate
CID 13140543
[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 3,5-dinitrobenzoate
CID 22215287
4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzoic acid
CID 65347721
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-phenylpropanoate
CID 2832696
[(1R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 9,10-bis(dicyanomethylidene)anthracene-2-carboxylate
CID 177452047

Frequently Asked Questions

What is the IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-[(carbamoylamino)methyl]benzoate?
The IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-[(carbamoylamino)methyl]benzoate (CID 75524889) is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-[(carbamoylamino)methyl]benzoate.
What is the SMILES notation for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-[(carbamoylamino)methyl]benzoate?
The canonical SMILES for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-[(carbamoylamino)methyl]benzoate is CC1(C)C2CCC1(C)C(OC(=O)c1ccc(CNC(N)=O)cc1)C2.
What is the InChIKey of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-[(carbamoylamino)methyl]benzoate?
The InChIKey is UHFDOJAQJIJJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-18(2)14-8-9-19(18,3)15(10-14)24-16(22)13-6-4-12(5-7-13)11-21-17(20)23/h4-7,14-15H,8-11H2,1-3H3,(H3,20,21,23).
What are the key properties of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-[(carbamoylamino)methyl]benzoate?
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-[(carbamoylamino)methyl]benzoate has a molecular weight of 330.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-[(carbamoylamino)methyl]benzoate is sourced from PubChem (CID 75524889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).