N-(9-ethylcarbazol-3-yl)-3-methyl-N'-[(5-methylfuran-2-yl)methyl]pentanediamide

C26H29N3O3 — CID 4269823

IUPACN-(9-ethylcarbazol-3-yl)-3-methyl-N'-[(5-methylfuran-2-yl)methyl]pentanediamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CC(C)CC(=O)NCc3ccc(C)o3)ccc21
InChIInChI=1S/C26H29N3O3/c1-4-29-23-8-6-5-7-21(23)22-15-19(10-12-24(22)29)28-26(31)14-17(2)13-25(30)27-16-20-11-9-18(3)32-20/h5-12,15,17H,4,13-14,16H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyLKOSAURJHJLPRS-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.39
Rot. Bonds8

About N-(9-ethylcarbazol-3-yl)-3-methyl-N'-[(5-methylfuran-2-yl)methyl]pentanediamide

N-(9-ethylcarbazol-3-yl)-3-methyl-N'-[(5-methylfuran-2-yl)methyl]pentanediamide (PubChem CID 4269823) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-3-methyl-N'-[(5-methylfuran-2-yl)methyl]pentanediamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-3-methyl-N'-[(5-methylfuran-2-yl)methyl]pentanediamide
PubChem CID4269823
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-(9-ethylcarbazol-3-yl)-3-methyl-N'-[(5-methylfuran-2-yl)methyl]pentanediamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CC(C)CC(=O)NCc3ccc(C)o3)ccc21
InChIInChI=1S/C26H29N3O3/c1-4-29-23-8-6-5-7-21(23)22-15-19(10-12-24(22)29)28-26(31)14-17(2)13-25(30)27-16-20-11-9-18(3)32-20/h5-12,15,17H,4,13-14,16H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyLKOSAURJHJLPRS-UHFFFAOYSA-N
XLogP5.39
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(9-ethylcarbazol-3-yl)-N'-(2-methoxyethyl)-3-methylpentanediamide
CID 5018445
N-(3-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3-methylpentanediamide
CID 86729719
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
4-amino-N-(9-ethylcarbazol-3-yl)pentanamide
CID 120558708
N-(9-ethylcarbazol-3-yl)-2-(oxiran-2-ylmethylamino)acetamide
CID 22458845
N-(9-ethylcarbazol-3-yl)-3-methyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide
CID 4274519
N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide
CID 119672985
6-[4-cyano-3-(trifluoromethyl)phenyl]-N-(9-ethylcarbazol-3-yl)-3-methyl-5-oxohexanamide
CID 159935099
3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 110731621
5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
CID 3498432
3-amino-N-(9-ethylcarbazol-3-yl)-3-methylbutanamide
CID 167911197
N-benzyl-N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3-methylpentanediamide
CID 90300497

Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-3-methyl-N'-[(5-methylfuran-2-yl)methyl]pentanediamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-3-methyl-N'-[(5-methylfuran-2-yl)methyl]pentanediamide (CID 4269823) is N-(9-ethylcarbazol-3-yl)-3-methyl-N'-[(5-methylfuran-2-yl)methyl]pentanediamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-3-methyl-N'-[(5-methylfuran-2-yl)methyl]pentanediamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-3-methyl-N'-[(5-methylfuran-2-yl)methyl]pentanediamide is CCn1c2ccccc2c2cc(NC(=O)CC(C)CC(=O)NCc3ccc(C)o3)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-3-methyl-N'-[(5-methylfuran-2-yl)methyl]pentanediamide?
The InChIKey is LKOSAURJHJLPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-4-29-23-8-6-5-7-21(23)22-15-19(10-12-24(22)29)28-26(31)14-17(2)13-25(30)27-16-20-11-9-18(3)32-20/h5-12,15,17H,4,13-14,16H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of N-(9-ethylcarbazol-3-yl)-3-methyl-N'-[(5-methylfuran-2-yl)methyl]pentanediamide?
N-(9-ethylcarbazol-3-yl)-3-methyl-N'-[(5-methylfuran-2-yl)methyl]pentanediamide has a molecular weight of 431.54 g/mol, XLogP of 5.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-3-methyl-N'-[(5-methylfuran-2-yl)methyl]pentanediamide is sourced from PubChem (CID 4269823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).