N,N-dibutyl-2-(7-methoxy-2,2-dimethyl-3,4-dihydro-1H-carbazol-9-yl)acetamide

C25H38N2O2 — CID 57438515

IUPACN,N-dibutyl-2-(7-methoxy-2,2-dimethyl-3,4-dihydro-1H-carbazol-9-yl)acetamide
SMILESCCCCN(CCCC)C(=O)Cn1c2c(c3ccc(OC)cc31)CCC(C)(C)C2
InChIInChI=1S/C25H38N2O2/c1-6-8-14-26(15-9-7-2)24(28)18-27-22-16-19(29-5)10-11-20(22)21-12-13-25(3,4)17-23(21)27/h10-11,16H,6-9,12-15,17-18H2,1-5H3
InChIKeyVBANFBGVJVMHKW-UHFFFAOYSA-N
MW398.59 g/mol
LogP5.59
Rot. Bonds9

About N,N-dibutyl-2-(7-methoxy-2,2-dimethyl-3,4-dihydro-1H-carbazol-9-yl)acetamide

N,N-dibutyl-2-(7-methoxy-2,2-dimethyl-3,4-dihydro-1H-carbazol-9-yl)acetamide (PubChem CID 57438515) has the molecular formula C25H38N2O2 and a molecular weight of 398.59 g/mol. Its IUPAC name is N,N-dibutyl-2-(7-methoxy-2,2-dimethyl-3,4-dihydro-1H-carbazol-9-yl)acetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-(7-methoxy-2,2-dimethyl-3,4-dihydro-1H-carbazol-9-yl)acetamide
PubChem CID57438515
Molecular FormulaC25H38N2O2
Molecular Weight398.59 g/mol
Exact Mass398.29
IUPAC NameN,N-dibutyl-2-(7-methoxy-2,2-dimethyl-3,4-dihydro-1H-carbazol-9-yl)acetamide
SMILESCCCCN(CCCC)C(=O)Cn1c2c(c3ccc(OC)cc31)CCC(C)(C)C2
InChIInChI=1S/C25H38N2O2/c1-6-8-14-26(15-9-7-2)24(28)18-27-22-16-19(29-5)10-11-20(22)21-12-13-25(3,4)17-23(21)27/h10-11,16H,6-9,12-15,17-18H2,1-5H3
InChIKeyVBANFBGVJVMHKW-UHFFFAOYSA-N
XLogP5.59
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.59
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-(7-methoxy-2,2-dimethyl-3,4-dihydro-1H-carbazol-9-yl)acetamide?
The IUPAC name of N,N-dibutyl-2-(7-methoxy-2,2-dimethyl-3,4-dihydro-1H-carbazol-9-yl)acetamide (CID 57438515) is N,N-dibutyl-2-(7-methoxy-2,2-dimethyl-3,4-dihydro-1H-carbazol-9-yl)acetamide.
What is the SMILES notation for N,N-dibutyl-2-(7-methoxy-2,2-dimethyl-3,4-dihydro-1H-carbazol-9-yl)acetamide?
The canonical SMILES for N,N-dibutyl-2-(7-methoxy-2,2-dimethyl-3,4-dihydro-1H-carbazol-9-yl)acetamide is CCCCN(CCCC)C(=O)Cn1c2c(c3ccc(OC)cc31)CCC(C)(C)C2.
What is the InChIKey of N,N-dibutyl-2-(7-methoxy-2,2-dimethyl-3,4-dihydro-1H-carbazol-9-yl)acetamide?
The InChIKey is VBANFBGVJVMHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O2/c1-6-8-14-26(15-9-7-2)24(28)18-27-22-16-19(29-5)10-11-20(22)21-12-13-25(3,4)17-23(21)27/h10-11,16H,6-9,12-15,17-18H2,1-5H3.
What are the key properties of N,N-dibutyl-2-(7-methoxy-2,2-dimethyl-3,4-dihydro-1H-carbazol-9-yl)acetamide?
N,N-dibutyl-2-(7-methoxy-2,2-dimethyl-3,4-dihydro-1H-carbazol-9-yl)acetamide has a molecular weight of 398.59 g/mol, XLogP of 5.59, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-(7-methoxy-2,2-dimethyl-3,4-dihydro-1H-carbazol-9-yl)acetamide is sourced from PubChem (CID 57438515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).