3-amino-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

C19H27N3O2 — CID 119780316

IUPAC3-amino-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1C(=O)NC(C)C
InChIInChI=1S/C19H27N3O2/c1-10(2)21-18(23)15-9-14(7-4-11(15)3)22-19(24)16-12-5-6-13(8-12)17(16)20/h4,7,9-10,12-13,16-17H,5-6,8,20H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyJWYIDROIVPWRFR-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.45
Rot. Bonds4

About 3-amino-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119780316) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-amino-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119780316
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-amino-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1C(=O)NC(C)C
InChIInChI=1S/C19H27N3O2/c1-10(2)21-18(23)15-9-14(7-4-11(15)3)22-19(24)16-12-5-6-13(8-12)17(16)20/h4,7,9-10,12-13,16-17H,5-6,8,20H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyJWYIDROIVPWRFR-UHFFFAOYSA-N
XLogP2.45
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3-iodo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119680372
3-amino-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119671159
3-amino-N-[3-(methanesulfonamido)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119711249
ethyl 2-[[4-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]benzoyl]amino]propanoate
CID 119806763
3-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119718964
3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119797376
3-amino-N-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119832843
N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide
CID 119702825
4-[5-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 119893225
3-amino-N-[3-(2-methylpropoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119714886
N-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119700273
3-amino-N-(6-benzamido-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119893876

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119780316) is 3-amino-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is Cc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1C(=O)NC(C)C.
What is the InChIKey of 3-amino-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is JWYIDROIVPWRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-10(2)21-18(23)15-9-14(7-4-11(15)3)22-19(24)16-12-5-6-13(8-12)17(16)20/h4,7,9-10,12-13,16-17H,5-6,8,20H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 3-amino-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119780316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).