N-[4-[(1-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]acetamide

C24H29N3O — CID 23723566

IUPACN-[4-[(1-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCc3c([nH]c4ccccc34)C2C(C)(C)C)cc1
InChIInChI=1S/C24H29N3O/c1-16(28)25-18-11-9-17(10-12-18)15-27-14-13-20-19-7-5-6-8-21(19)26-22(20)23(27)24(2,3)4/h5-12,23,26H,13-15H2,1-4H3,(H,25,28)
InChIKeyZXRXZGRSZBBFGN-UHFFFAOYSA-N
MW375.52 g/mol
LogP5.27
Rot. Bonds3

About N-[4-[(1-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]acetamide

N-[4-[(1-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]acetamide (PubChem CID 23723566) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[4-[(1-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]acetamide
PubChem CID23723566
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC NameN-[4-[(1-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCc3c([nH]c4ccccc34)C2C(C)(C)C)cc1
InChIInChI=1S/C24H29N3O/c1-16(28)25-18-11-9-17(10-12-18)15-27-14-13-20-19-7-5-6-8-21(19)26-22(20)23(27)24(2,3)4/h5-12,23,26H,13-15H2,1-4H3,(H,25,28)
InChIKeyZXRXZGRSZBBFGN-UHFFFAOYSA-N
XLogP5.27
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

CID 6918837
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CID 107838
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CID 53389
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CID 4350931
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CID 121896
CID 121896
CID 86287635
CID 86287635
CID 121410806
CID 121410806
CID 9996305
CID 9996305
CID 122162
CID 122162
CID 132496
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CID 53388
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CID 9863281
CID 9863281

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]acetamide (CID 23723566) is N-[4-[(1-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCc3c([nH]c4ccccc34)C2C(C)(C)C)cc1.
What is the InChIKey of N-[4-[(1-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]acetamide?
The InChIKey is ZXRXZGRSZBBFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-16(28)25-18-11-9-17(10-12-18)15-27-14-13-20-19-7-5-6-8-21(19)26-22(20)23(27)24(2,3)4/h5-12,23,26H,13-15H2,1-4H3,(H,25,28).
What are the key properties of N-[4-[(1-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]acetamide?
N-[4-[(1-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]acetamide has a molecular weight of 375.52 g/mol, XLogP of 5.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 23723566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).