N,N-diethyl-4-(N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anilino)benzamide

C25H33N3O — CID 15908878

IUPACN,N-diethyl-4-(N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2ccccc2)C2C[C@H]3CC[C@@H](C2)N3C)cc1
InChIInChI=1S/C25H33N3O/c1-4-27(5-2)25(29)19-11-13-21(14-12-19)28(20-9-7-6-8-10-20)24-17-22-15-16-23(18-24)26(22)3/h6-14,22-24H,4-5,15-18H2,1-3H3/t22-,23+,24?
InChIKeyTXODNKQQNPHMMZ-VSGJHWFKSA-N
MW391.56 g/mol
LogP4.93
Rot. Bonds6

About N,N-diethyl-4-(N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anilino)benzamide

N,N-diethyl-4-(N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anilino)benzamide (PubChem CID 15908878) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is N,N-diethyl-4-(N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anilino)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anilino)benzamide
PubChem CID15908878
Molecular FormulaC25H33N3O
Molecular Weight391.56 g/mol
Exact Mass391.26
IUPAC NameN,N-diethyl-4-(N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2ccccc2)C2C[C@H]3CC[C@@H](C2)N3C)cc1
InChIInChI=1S/C25H33N3O/c1-4-27(5-2)25(29)19-11-13-21(14-12-19)28(20-9-7-6-8-10-20)24-17-22-15-16-23(18-24)26(22)3/h6-14,22-24H,4-5,15-18H2,1-3H3/t22-,23+,24?
InChIKeyTXODNKQQNPHMMZ-VSGJHWFKSA-N
XLogP4.93
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anilino)benzamide?
The IUPAC name of N,N-diethyl-4-(N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anilino)benzamide (CID 15908878) is N,N-diethyl-4-(N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anilino)benzamide.
What is the SMILES notation for N,N-diethyl-4-(N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anilino)benzamide?
The canonical SMILES for N,N-diethyl-4-(N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anilino)benzamide is CCN(CC)C(=O)c1ccc(N(c2ccccc2)C2C[C@H]3CC[C@@H](C2)N3C)cc1.
What is the InChIKey of N,N-diethyl-4-(N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anilino)benzamide?
The InChIKey is TXODNKQQNPHMMZ-VSGJHWFKSA-N. The full InChI is InChI=1S/C25H33N3O/c1-4-27(5-2)25(29)19-11-13-21(14-12-19)28(20-9-7-6-8-10-20)24-17-22-15-16-23(18-24)26(22)3/h6-14,22-24H,4-5,15-18H2,1-3H3/t22-,23+,24?.
What are the key properties of N,N-diethyl-4-(N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anilino)benzamide?
N,N-diethyl-4-(N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anilino)benzamide has a molecular weight of 391.56 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anilino)benzamide is sourced from PubChem (CID 15908878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).