N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-propan-2-ylphenyl)propanamide

C19H27NO — CID 41455014

IUPACN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(CCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1
InChIInChI=1S/C19H27NO/c1-13(2)16-7-3-14(4-8-16)6-10-19(21)20-18-12-15-5-9-17(18)11-15/h3-4,7-8,13,15,17-18H,5-6,9-12H2,1-2H3,(H,20,21)/t15-,17+,18+/m0/s1
InChIKeyAIJQWEBGTWHMJE-CGTJXYLNSA-N
MW285.43 g/mol
LogP4.05
Rot. Bonds5

About N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-propan-2-ylphenyl)propanamide

N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-propan-2-ylphenyl)propanamide (PubChem CID 41455014) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-propan-2-ylphenyl)propanamide
PubChem CID41455014
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(CCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1
InChIInChI=1S/C19H27NO/c1-13(2)16-7-3-14(4-8-16)6-10-19(21)20-18-12-15-5-9-17(18)11-15/h3-4,7-8,13,15,17-18H,5-6,9-12H2,1-2H3,(H,20,21)/t15-,17+,18+/m0/s1
InChIKeyAIJQWEBGTWHMJE-CGTJXYLNSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-propan-2-ylphenyl)propanamide with MolForge

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Related Compounds

N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-methylphenyl)propanamide
CID 41454328
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(3,4-dimethylphenyl)propanamide
CID 125057199
N-cyclopentyl-3-(4-propan-2-ylphenyl)propanamide
CID 19221387
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 27209460
N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 133160744
3-(1,3-benzodioxol-5-yl)-N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]propanamide
CID 95196204
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(2-chlorophenyl)propanamide
CID 95118659
N-(2-bicyclo[2.2.1]heptanyl)-3-(2-chlorophenyl)propanamide
CID 50946051
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 6547577
1-(2-bicyclo[2.2.1]heptanyl)-3-(4-propan-2-ylphenyl)thiourea
CID 2809355
N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 41455606
N-(2-bicyclo[2.2.1]heptanyl)-3-(2,4-dichlorophenyl)propanamide
CID 133225055

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-propan-2-ylphenyl)propanamide (CID 41455014) is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(CCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1.
What is the InChIKey of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-propan-2-ylphenyl)propanamide?
The InChIKey is AIJQWEBGTWHMJE-CGTJXYLNSA-N. The full InChI is InChI=1S/C19H27NO/c1-13(2)16-7-3-14(4-8-16)6-10-19(21)20-18-12-15-5-9-17(18)11-15/h3-4,7-8,13,15,17-18H,5-6,9-12H2,1-2H3,(H,20,21)/t15-,17+,18+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-propan-2-ylphenyl)propanamide?
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-propan-2-ylphenyl)propanamide has a molecular weight of 285.43 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 41455014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).