N-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)butanamide

C25H26N2O2 — CID 43905053

IUPACN-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C25H26N2O2/c1-4-24(29-19-10-8-9-17(3)15-19)25(28)26-18-13-14-23-21(16-18)20-11-6-7-12-22(20)27(23)5-2/h6-16,24H,4-5H2,1-3H3,(H,26,28)
InChIKeyIULSFHONKFKQFL-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.92
Rot. Bonds6

About N-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)butanamide

N-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)butanamide (PubChem CID 43905053) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)butanamide
PubChem CID43905053
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC NameN-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C25H26N2O2/c1-4-24(29-19-10-8-9-17(3)15-19)25(28)26-18-13-14-23-21(16-18)20-11-6-7-12-22(20)27(23)5-2/h6-16,24H,4-5H2,1-3H3,(H,26,28)
InChIKeyIULSFHONKFKQFL-UHFFFAOYSA-N
XLogP5.92
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)butanamide
CID 28988595
N-(9-ethylcarbazol-3-yl)-2-(4-fluorophenoxy)butanamide
CID 17166239
(2R)-N-(9-ethylcarbazol-3-yl)-2-(4-methylphenoxy)propanamide
CID 1019882
2-(3-methylphenoxy)-N-[4-[4-[2-(3-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 4929418
N-(3,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 43905460
(2R)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
CID 42579556
(2S)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
CID 42579555
2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189216
N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17235402
2-(3-methylphenoxy)-N-naphthalen-1-ylbutanamide
CID 4928355
2-(3-methylphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)butanamide
CID 133244822
phenyl N-(9-ethylcarbazol-3-yl)carbamate
CID 2182675

Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)butanamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)butanamide (CID 43905053) is N-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)butanamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)butanamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)butanamide is CCC(Oc1cccc(C)c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)butanamide?
The InChIKey is IULSFHONKFKQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-4-24(29-19-10-8-9-17(3)15-19)25(28)26-18-13-14-23-21(16-18)20-11-6-7-12-22(20)27(23)5-2/h6-16,24H,4-5H2,1-3H3,(H,26,28).
What are the key properties of N-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)butanamide?
N-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)butanamide has a molecular weight of 386.50 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)butanamide is sourced from PubChem (CID 43905053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).