2-(2-bicyclo[2.2.1]heptanyl)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide

C24H30N2O — CID 3911169

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
SMILESCC(C)N(c1ccccc1)c1ccc(NC(=O)CC2CC3CCC2C3)cc1
InChIInChI=1S/C24H30N2O/c1-17(2)26(22-6-4-3-5-7-22)23-12-10-21(11-13-23)25-24(27)16-20-15-18-8-9-19(20)14-18/h3-7,10-13,17-20H,8-9,14-16H2,1-2H3,(H,25,27)
InChIKeyORBXWZRYNQSBIZ-UHFFFAOYSA-N
MW362.52 g/mol
LogP6.00
Rot. Bonds6

About 2-(2-bicyclo[2.2.1]heptanyl)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide (PubChem CID 3911169) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
PubChem CID3911169
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
SMILESCC(C)N(c1ccccc1)c1ccc(NC(=O)CC2CC3CCC2C3)cc1
InChIInChI=1S/C24H30N2O/c1-17(2)26(22-6-4-3-5-7-22)23-12-10-21(11-13-23)25-24(27)16-20-15-18-8-9-19(20)14-18/h3-7,10-13,17-20H,8-9,14-16H2,1-2H3,(H,25,27)
InChIKeyORBXWZRYNQSBIZ-UHFFFAOYSA-N
XLogP6.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide with MolForge

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Related Compounds

N-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11914325
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methylphenyl)acetamide
CID 7733743
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluorophenyl)acetamide
CID 7947448
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 21175312
methyl 4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]benzoate
CID 43404005
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide
CID 23307105
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide
CID 7740170
N-(3-acetamidophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 18074570
methyl 2-[4-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]phenyl]acetate
CID 98750990
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 11918943
2-(2-bicyclo[2.2.1]heptanyl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 4815541
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methylphenyl)acetamide
CID 11923124

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide (CID 3911169) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide is CC(C)N(c1ccccc1)c1ccc(NC(=O)CC2CC3CCC2C3)cc1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide?
The InChIKey is ORBXWZRYNQSBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-17(2)26(22-6-4-3-5-7-22)23-12-10-21(11-13-23)25-24(27)16-20-15-18-8-9-19(20)14-18/h3-7,10-13,17-20H,8-9,14-16H2,1-2H3,(H,25,27).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide has a molecular weight of 362.52 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide is sourced from PubChem (CID 3911169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).