N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide

C23H30N4O4 — CID 54836484

IUPACN-(3-methoxypropyl)-4-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
SMILESCOCCCNC(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C23H30N4O4/c1-16(2)26-23(30)18-7-11-20(12-8-18)27-21(28)15-25-19-9-5-17(6-10-19)22(29)24-13-4-14-31-3/h5-12,16,25H,4,13-15H2,1-3H3,(H,24,29)(H,26,30)(H,27,28)
InChIKeyJQQLNEGUENUNSN-UHFFFAOYSA-N
MW426.52 g/mol
LogP2.64
Rot. Bonds11

About N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide

N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide (PubChem CID 54836484) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
PubChem CID54836484
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC NameN-(3-methoxypropyl)-4-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
SMILESCOCCCNC(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C23H30N4O4/c1-16(2)26-23(30)18-7-11-20(12-8-18)27-21(28)15-25-19-9-5-17(6-10-19)22(29)24-13-4-14-31-3/h5-12,16,25H,4,13-15H2,1-3H3,(H,24,29)(H,26,30)(H,27,28)
InChIKeyJQQLNEGUENUNSN-UHFFFAOYSA-N
XLogP2.64
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-4-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54836394
4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836454
4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835601
N-(3-methoxypropyl)-4-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54834129
N-butan-2-yl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835277
N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54836675
N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide
CID 54828874
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836640
4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835385
N-butan-2-yl-4-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzamide
CID 54834375
N-(3-methoxypropyl)-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide
CID 54836423
3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54831948

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide?
The IUPAC name of N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide (CID 54836484) is N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide is COCCCNC(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)NC(C)C)cc2)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide?
The InChIKey is JQQLNEGUENUNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-16(2)26-23(30)18-7-11-20(12-8-18)27-21(28)15-25-19-9-5-17(6-10-19)22(29)24-13-4-14-31-3/h5-12,16,25H,4,13-15H2,1-3H3,(H,24,29)(H,26,30)(H,27,28).
What are the key properties of N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide?
N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide has a molecular weight of 426.52 g/mol, XLogP of 2.64, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54836484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).