N-(9-ethylcarbazol-3-yl)-N'-(2-methoxyethyl)-3-methylpentanediamide

C23H29N3O3 — CID 5018445

IUPACN-(9-ethylcarbazol-3-yl)-N'-(2-methoxyethyl)-3-methylpentanediamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CC(C)CC(=O)NCCOC)ccc21
InChIInChI=1S/C23H29N3O3/c1-4-26-20-8-6-5-7-18(20)19-15-17(9-10-21(19)26)25-23(28)14-16(2)13-22(27)24-11-12-29-3/h5-10,15-16H,4,11-14H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyUVCNLWNZHXWUGW-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.93
Rot. Bonds9

About N-(9-ethylcarbazol-3-yl)-N'-(2-methoxyethyl)-3-methylpentanediamide

N-(9-ethylcarbazol-3-yl)-N'-(2-methoxyethyl)-3-methylpentanediamide (PubChem CID 5018445) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-N'-(2-methoxyethyl)-3-methylpentanediamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-N'-(2-methoxyethyl)-3-methylpentanediamide
PubChem CID5018445
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-(9-ethylcarbazol-3-yl)-N'-(2-methoxyethyl)-3-methylpentanediamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CC(C)CC(=O)NCCOC)ccc21
InChIInChI=1S/C23H29N3O3/c1-4-26-20-8-6-5-7-18(20)19-15-17(9-10-21(19)26)25-23(28)14-16(2)13-22(27)24-11-12-29-3/h5-10,15-16H,4,11-14H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyUVCNLWNZHXWUGW-UHFFFAOYSA-N
XLogP3.93
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(9-ethylcarbazol-3-yl)-3-methyl-N'-[(5-methylfuran-2-yl)methyl]pentanediamide
CID 4269823
3-N-(9-ethylcarbazol-3-yl)-2-N-(2-methoxyethyl)pyrazine-2,3-dicarboxamide
CID 138604593
N-(3-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3-methylpentanediamide
CID 86729719
N'-(2-methoxyethyl)-3-methyl-N-phenylpentanediamide
CID 3607807
N-(9-ethylcarbazol-3-yl)-3-methyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide
CID 4274519
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
(2R)-N-(9-ethylcarbazol-3-yl)-2-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30620277
4-amino-N-(9-ethylcarbazol-3-yl)pentanamide
CID 120558708
3-ethoxy-N-(9-ethylcarbazol-3-yl)propanamide
CID 56502139
N-(3-butoxypropyl)-2-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethoxy]acetamide
CID 25246811
N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide
CID 119672985
(E)-3-(9-ethylcarbazol-3-yl)-N-(2-methoxyethyl)prop-2-enamide
CID 29198621

Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-N'-(2-methoxyethyl)-3-methylpentanediamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-N'-(2-methoxyethyl)-3-methylpentanediamide (CID 5018445) is N-(9-ethylcarbazol-3-yl)-N'-(2-methoxyethyl)-3-methylpentanediamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-N'-(2-methoxyethyl)-3-methylpentanediamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-N'-(2-methoxyethyl)-3-methylpentanediamide is CCn1c2ccccc2c2cc(NC(=O)CC(C)CC(=O)NCCOC)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-N'-(2-methoxyethyl)-3-methylpentanediamide?
The InChIKey is UVCNLWNZHXWUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-4-26-20-8-6-5-7-18(20)19-15-17(9-10-21(19)26)25-23(28)14-16(2)13-22(27)24-11-12-29-3/h5-10,15-16H,4,11-14H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-(9-ethylcarbazol-3-yl)-N'-(2-methoxyethyl)-3-methylpentanediamide?
N-(9-ethylcarbazol-3-yl)-N'-(2-methoxyethyl)-3-methylpentanediamide has a molecular weight of 395.50 g/mol, XLogP of 3.93, 9 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)-N'-(2-methoxyethyl)-3-methylpentanediamide is sourced from PubChem (CID 5018445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).