4-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-(3-methoxypropyl)benzamide

C23H30N4O4 — CID 54830495

IUPAC4-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCCCC(=O)Nc1cccc(NCC(=O)Nc2ccc(C(=O)NCCCOC)cc2)c1
InChIInChI=1S/C23H30N4O4/c1-3-6-21(28)27-20-8-4-7-19(15-20)25-16-22(29)26-18-11-9-17(10-12-18)23(30)24-13-5-14-31-2/h4,7-12,15,25H,3,5-6,13-14,16H2,1-2H3,(H,24,30)(H,26,29)(H,27,28)
InChIKeyURPQNAGHGWBECJ-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.24
Rot. Bonds12

About 4-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-(3-methoxypropyl)benzamide

4-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-(3-methoxypropyl)benzamide (PubChem CID 54830495) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name4-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-(3-methoxypropyl)benzamide
PubChem CID54830495
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name4-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCCCC(=O)Nc1cccc(NCC(=O)Nc2ccc(C(=O)NCCCOC)cc2)c1
InChIInChI=1S/C23H30N4O4/c1-3-6-21(28)27-20-8-4-7-19(15-20)25-16-22(29)26-18-11-9-17(10-12-18)23(30)24-13-5-14-31-2/h4,7-12,15,25H,3,5-6,13-14,16H2,1-2H3,(H,24,30)(H,26,29)(H,27,28)
InChIKeyURPQNAGHGWBECJ-UHFFFAOYSA-N
XLogP3.24
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.24
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

4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836483
4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836454
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54831834
N-(3-methoxypropyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833624
N-tert-butyl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844318
N-butan-2-yl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835277
N-(3-methoxypropyl)-3-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54837559
3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837360
N-(3-methoxypropyl)-4-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54836394
N-(3-methoxypropyl)-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide
CID 54836423
3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54825060
4-(butanoylamino)-N-(2-methoxyethyl)benzamide
CID 4265355

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 4-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-(3-methoxypropyl)benzamide (CID 54830495) is 4-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 4-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 4-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-(3-methoxypropyl)benzamide is CCCC(=O)Nc1cccc(NCC(=O)Nc2ccc(C(=O)NCCCOC)cc2)c1.
What is the InChIKey of 4-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-(3-methoxypropyl)benzamide?
The InChIKey is URPQNAGHGWBECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-3-6-21(28)27-20-8-4-7-19(15-20)25-16-22(29)26-18-11-9-17(10-12-18)23(30)24-13-5-14-31-2/h4,7-12,15,25H,3,5-6,13-14,16H2,1-2H3,(H,24,30)(H,26,29)(H,27,28).
What are the key properties of 4-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-(3-methoxypropyl)benzamide?
4-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-(3-methoxypropyl)benzamide has a molecular weight of 426.52 g/mol, XLogP of 3.24, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 54830495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).