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

C17H27N3O4 — CID 54828874

IUPACN-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide
SMILESCOCCCNCC(=O)Nc1ccc(C(=O)NCCCOC)cc1
InChIInChI=1S/C17H27N3O4/c1-23-11-3-9-18-13-16(21)20-15-7-5-14(6-8-15)17(22)19-10-4-12-24-2/h5-8,18H,3-4,9-13H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyLIWFXUIEMLFNRQ-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.02
Rot. Bonds12

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

N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide (PubChem CID 54828874) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide
PubChem CID54828874
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC NameN-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide
SMILESCOCCCNCC(=O)Nc1ccc(C(=O)NCCCOC)cc1
InChIInChI=1S/C17H27N3O4/c1-23-11-3-9-18-13-16(21)20-15-7-5-14(6-8-15)17(22)19-10-4-12-24-2/h5-8,18H,3-4,9-13H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyLIWFXUIEMLFNRQ-UHFFFAOYSA-N
XLogP1.02
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.02
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

N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide
CID 17205407
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-(furan-2-ylmethylamino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54818743
N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54836484
4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045341
N-(3-methoxypropyl)-4-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide
CID 54845211
4-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54817195
N-(3-methoxypropyl)-4-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54834129
N-(3-methoxypropyl)-4-[[2-(2,4,5-trichloroanilino)acetyl]amino]benzamide
CID 54816310
4-[[2-(2,4-dimethylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54811419
N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54836675

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide?
The IUPAC name of N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide (CID 54828874) is N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide is COCCCNCC(=O)Nc1ccc(C(=O)NCCCOC)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide?
The InChIKey is LIWFXUIEMLFNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-23-11-3-9-18-13-16(21)20-15-7-5-14(6-8-15)17(22)19-10-4-12-24-2/h5-8,18H,3-4,9-13H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide?
N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide has a molecular weight of 337.42 g/mol, XLogP of 1.02, 12 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-(3-methoxypropylamino)acetyl]amino]benzamide is sourced from PubChem (CID 54828874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).