N-(3-methoxypropyl)-4-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide

C23H31N3O4 — CID 54845211

IUPACN-(3-methoxypropyl)-4-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide
SMILESCOCCCNC(=O)c1ccc(NC(=O)CNCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C23H31N3O4/c1-17(2)30-21-11-5-18(6-12-21)15-24-16-22(27)26-20-9-7-19(8-10-20)23(28)25-13-4-14-29-3/h5-12,17,24H,4,13-16H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyNGPLYKQUXUFGBF-UHFFFAOYSA-N
MW413.52 g/mol
LogP2.97
Rot. Bonds12

About N-(3-methoxypropyl)-4-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide

N-(3-methoxypropyl)-4-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide (PubChem CID 54845211) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide
PubChem CID54845211
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC NameN-(3-methoxypropyl)-4-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide
SMILESCOCCCNC(=O)c1ccc(NC(=O)CNCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C23H31N3O4/c1-17(2)30-21-11-5-18(6-12-21)15-24-16-22(27)26-20-9-7-19(8-10-20)23(28)25-13-4-14-29-3/h5-12,17,24H,4,13-16H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyNGPLYKQUXUFGBF-UHFFFAOYSA-N
XLogP2.97
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.97
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

2-(3-methoxypropylamino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54829052
N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide
CID 54828874
4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835601
N-butyl-3-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide
CID 54845454
N-(3-methoxypropyl)-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54842246
4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propylbenzamide
CID 54837977
3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54837826
N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54836484
4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54837767
4-[[2-(furan-2-ylmethylamino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54818743
N-[4-(piperidine-1-carbonyl)phenyl]-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 54845235
4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836454

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide?
The IUPAC name of N-(3-methoxypropyl)-4-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide (CID 54845211) is N-(3-methoxypropyl)-4-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-4-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide is COCCCNC(=O)c1ccc(NC(=O)CNCc2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide?
The InChIKey is NGPLYKQUXUFGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-17(2)30-21-11-5-18(6-12-21)15-24-16-22(27)26-20-9-7-19(8-10-20)23(28)25-13-4-14-29-3/h5-12,17,24H,4,13-16H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of N-(3-methoxypropyl)-4-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide?
N-(3-methoxypropyl)-4-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide has a molecular weight of 413.52 g/mol, XLogP of 2.97, 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-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide is sourced from PubChem (CID 54845211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).