N-(3,3-dimethylbutyl)-N-ethyl-2-(2-methoxycarbazol-9-yl)acetamide

C23H30N2O2 — CID 11696301

IUPACN-(3,3-dimethylbutyl)-N-ethyl-2-(2-methoxycarbazol-9-yl)acetamide
SMILESCCN(CCC(C)(C)C)C(=O)Cn1c2ccccc2c2ccc(OC)cc21
InChIInChI=1S/C23H30N2O2/c1-6-24(14-13-23(2,3)4)22(26)16-25-20-10-8-7-9-18(20)19-12-11-17(27-5)15-21(19)25/h7-12,15H,6,13-14,16H2,1-5H3
InChIKeyNSVLWYJJUXBSJF-UHFFFAOYSA-N
MW366.51 g/mol
LogP5.09
Rot. Bonds6

About N-(3,3-dimethylbutyl)-N-ethyl-2-(2-methoxycarbazol-9-yl)acetamide

N-(3,3-dimethylbutyl)-N-ethyl-2-(2-methoxycarbazol-9-yl)acetamide (PubChem CID 11696301) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-N-ethyl-2-(2-methoxycarbazol-9-yl)acetamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-N-ethyl-2-(2-methoxycarbazol-9-yl)acetamide
PubChem CID11696301
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-(3,3-dimethylbutyl)-N-ethyl-2-(2-methoxycarbazol-9-yl)acetamide
SMILESCCN(CCC(C)(C)C)C(=O)Cn1c2ccccc2c2ccc(OC)cc21
InChIInChI=1S/C23H30N2O2/c1-6-24(14-13-23(2,3)4)22(26)16-25-20-10-8-7-9-18(20)19-12-11-17(27-5)15-21(19)25/h7-12,15H,6,13-14,16H2,1-5H3
InChIKeyNSVLWYJJUXBSJF-UHFFFAOYSA-N
XLogP5.09
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-N-ethyl-2-(2-methoxycarbazol-9-yl)acetamide?
The IUPAC name of N-(3,3-dimethylbutyl)-N-ethyl-2-(2-methoxycarbazol-9-yl)acetamide (CID 11696301) is N-(3,3-dimethylbutyl)-N-ethyl-2-(2-methoxycarbazol-9-yl)acetamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-N-ethyl-2-(2-methoxycarbazol-9-yl)acetamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-N-ethyl-2-(2-methoxycarbazol-9-yl)acetamide is CCN(CCC(C)(C)C)C(=O)Cn1c2ccccc2c2ccc(OC)cc21.
What is the InChIKey of N-(3,3-dimethylbutyl)-N-ethyl-2-(2-methoxycarbazol-9-yl)acetamide?
The InChIKey is NSVLWYJJUXBSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-6-24(14-13-23(2,3)4)22(26)16-25-20-10-8-7-9-18(20)19-12-11-17(27-5)15-21(19)25/h7-12,15H,6,13-14,16H2,1-5H3.
What are the key properties of N-(3,3-dimethylbutyl)-N-ethyl-2-(2-methoxycarbazol-9-yl)acetamide?
N-(3,3-dimethylbutyl)-N-ethyl-2-(2-methoxycarbazol-9-yl)acetamide has a molecular weight of 366.51 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-N-ethyl-2-(2-methoxycarbazol-9-yl)acetamide is sourced from PubChem (CID 11696301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).