N-(3-butoxypropyl)-2-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethoxy]acetamide

C25H33N3O4 — CID 25246811

IUPACN-(3-butoxypropyl)-2-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethoxy]acetamide
SMILESCCCCOCCCNC(=O)COCC(=O)Nc1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C25H33N3O4/c1-3-5-14-31-15-8-13-26-24(29)17-32-18-25(30)27-19-11-12-23-21(16-19)20-9-6-7-10-22(20)28(23)4-2/h6-7,9-12,16H,3-5,8,13-15,17-18H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyTYNOBULJAXVHOK-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.09
Rot. Bonds13

About N-(3-butoxypropyl)-2-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethoxy]acetamide

N-(3-butoxypropyl)-2-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethoxy]acetamide (PubChem CID 25246811) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-(3-butoxypropyl)-2-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethoxy]acetamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-2-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethoxy]acetamide
PubChem CID25246811
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC NameN-(3-butoxypropyl)-2-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethoxy]acetamide
SMILESCCCCOCCCNC(=O)COCC(=O)Nc1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C25H33N3O4/c1-3-5-14-31-15-8-13-26-24(29)17-32-18-25(30)27-19-11-12-23-21(16-19)20-9-6-7-10-22(20)28(23)4-2/h6-7,9-12,16H,3-5,8,13-15,17-18H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyTYNOBULJAXVHOK-UHFFFAOYSA-N
XLogP4.09
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide
CID 119672985
3-ethoxy-N-(9-ethylcarbazol-3-yl)propanamide
CID 56502139
N-(9-ethylcarbazol-3-yl)-2-naphthalen-2-yloxyacetamide
CID 3107361
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
N-(9-ethylcarbazol-3-yl)-N'-(2-methoxyethyl)-3-methylpentanediamide
CID 5018445
5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
CID 3498432
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] thiocyanate
CID 74655425
2-[4-(4-cyanophenyl)phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide
CID 3473107
N'-(9-ethylcarbazol-3-yl)-N-[4-(2-phenylethoxy)phenyl]butanediamide
CID 51362577
N-(9-ethylcarbazol-3-yl)-4-propoxybenzamide
CID 17163838
3-N-(9-ethylcarbazol-3-yl)-2-N-(2-methoxyethyl)pyrazine-2,3-dicarboxamide
CID 138604593
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 3458466

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-2-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethoxy]acetamide?
The IUPAC name of N-(3-butoxypropyl)-2-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethoxy]acetamide (CID 25246811) is N-(3-butoxypropyl)-2-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethoxy]acetamide.
What is the SMILES notation for N-(3-butoxypropyl)-2-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethoxy]acetamide?
The canonical SMILES for N-(3-butoxypropyl)-2-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethoxy]acetamide is CCCCOCCCNC(=O)COCC(=O)Nc1ccc2c(c1)c1ccccc1n2CC.
What is the InChIKey of N-(3-butoxypropyl)-2-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethoxy]acetamide?
The InChIKey is TYNOBULJAXVHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-3-5-14-31-15-8-13-26-24(29)17-32-18-25(30)27-19-11-12-23-21(16-19)20-9-6-7-10-22(20)28(23)4-2/h6-7,9-12,16H,3-5,8,13-15,17-18H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-(3-butoxypropyl)-2-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethoxy]acetamide?
N-(3-butoxypropyl)-2-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethoxy]acetamide has a molecular weight of 439.56 g/mol, XLogP of 4.09, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-2-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethoxy]acetamide is sourced from PubChem (CID 25246811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).