N-(3-methoxypropyl)-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide

C23H25N3O3 — CID 54836423

IUPACN-(3-methoxypropyl)-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide
SMILESCOCCCNC(=O)c1ccc(NCC(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H25N3O3/c1-29-14-4-13-24-23(28)18-8-10-20(11-9-18)25-16-22(27)26-21-12-7-17-5-2-3-6-19(17)15-21/h2-3,5-12,15,25H,4,13-14,16H2,1H3,(H,24,28)(H,26,27)
InChIKeyXOBQTLKHWQIETC-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.66
Rot. Bonds9

About N-(3-methoxypropyl)-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide

N-(3-methoxypropyl)-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide (PubChem CID 54836423) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide
PubChem CID54836423
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-(3-methoxypropyl)-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide
SMILESCOCCCNC(=O)c1ccc(NCC(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H25N3O3/c1-29-14-4-13-24-23(28)18-8-10-20(11-9-18)25-16-22(27)26-21-12-7-17-5-2-3-6-19(17)15-21/h2-3,5-12,15,25H,4,13-14,16H2,1H3,(H,24,28)(H,26,27)
InChIKeyXOBQTLKHWQIETC-UHFFFAOYSA-N
XLogP3.66
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836483
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-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide
CID 54846158
N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54836484
4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835567
4-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54830495
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836331
4-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54817195
4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835385
4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835601
N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide
CID 54828874

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-(3-methoxypropyl)-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide (CID 54836423) is N-(3-methoxypropyl)-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide is COCCCNC(=O)c1ccc(NCC(=O)Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide?
The InChIKey is XOBQTLKHWQIETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-29-14-4-13-24-23(28)18-8-10-20(11-9-18)25-16-22(27)26-21-12-7-17-5-2-3-6-19(17)15-21/h2-3,5-12,15,25H,4,13-14,16H2,1H3,(H,24,28)(H,26,27).
What are the key properties of N-(3-methoxypropyl)-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide?
N-(3-methoxypropyl)-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide has a molecular weight of 391.47 g/mol, XLogP of 3.66, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54836423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).