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

C22H29N3O4 — CID 54835570

IUPACN-(3-methoxypropyl)-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide
SMILESCOCCCNC(=O)c1ccc(NCC(=O)Nc2ccccc2OC(C)C)cc1
InChIInChI=1S/C22H29N3O4/c1-16(2)29-20-8-5-4-7-19(20)25-21(26)15-24-18-11-9-17(10-12-18)22(27)23-13-6-14-28-3/h4-5,7-12,16,24H,6,13-15H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyUCSZUPSICCOTLP-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.29
Rot. Bonds11

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

N-(3-methoxypropyl)-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide (PubChem CID 54835570) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide
PubChem CID54835570
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC NameN-(3-methoxypropyl)-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide
SMILESCOCCCNC(=O)c1ccc(NCC(=O)Nc2ccccc2OC(C)C)cc1
InChIInChI=1S/C22H29N3O4/c1-16(2)29-20-8-5-4-7-19(20)25-21(26)15-24-18-11-9-17(10-12-18)22(27)23-13-6-14-28-3/h4-5,7-12,16,24H,6,13-15H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyUCSZUPSICCOTLP-UHFFFAOYSA-N
XLogP3.29
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835567
N-ethyl-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54839172
4-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54817195
1-N-(2-methoxyethyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109045189
N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54836484
4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835595
1-(3-methoxypropyl)-3-(2-propan-2-yloxyphenyl)urea
CID 47221937
4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836483
N-(2-methoxyethyl)-4-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54836272
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
N-(3-methoxypropyl)-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54842246

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide?
The IUPAC name of N-(3-methoxypropyl)-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide (CID 54835570) is N-(3-methoxypropyl)-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide is COCCCNC(=O)c1ccc(NCC(=O)Nc2ccccc2OC(C)C)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide?
The InChIKey is UCSZUPSICCOTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-16(2)29-20-8-5-4-7-19(20)25-21(26)15-24-18-11-9-17(10-12-18)22(27)23-13-6-14-28-3/h4-5,7-12,16,24H,6,13-15H2,1-3H3,(H,23,27)(H,25,26).
What are the key properties of N-(3-methoxypropyl)-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide?
N-(3-methoxypropyl)-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide has a molecular weight of 399.49 g/mol, XLogP of 3.29, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide is sourced from PubChem (CID 54835570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).