3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide

C19H29N3O3 — CID 54842504

IUPAC3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cccc(NCC(=O)N2CCCCCC2)c1
InChIInChI=1S/C19H29N3O3/c1-25-13-7-10-20-19(24)16-8-6-9-17(14-16)21-15-18(23)22-11-4-2-3-5-12-22/h6,8-9,14,21H,2-5,7,10-13,15H2,1H3,(H,20,24)
InChIKeyMVGJECBSYFVVRK-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.27
Rot. Bonds8

About 3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide

3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide (PubChem CID 54842504) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
PubChem CID54842504
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cccc(NCC(=O)N2CCCCCC2)c1
InChIInChI=1S/C19H29N3O3/c1-25-13-7-10-20-19(24)16-8-6-9-17(14-16)21-15-18(23)22-11-4-2-3-5-12-22/h6,8-9,14,21H,2-5,7,10-13,15H2,1H3,(H,20,24)
InChIKeyMVGJECBSYFVVRK-UHFFFAOYSA-N
XLogP2.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-[(2-oxo-2-piperidin-1-ylethyl)amino]benzamide
CID 54836035
N-(3-methoxypropyl)-3-(piperidine-1-carbonyl)benzamide
CID 109051970
4-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836236
N-(2-methoxyethyl)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841294
N-(3-methoxypropyl)-3-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843162
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54831834
N-(2-methoxyethyl)-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54834227
3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836165
2-(3-methoxypropylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54828810
N-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 46437560
3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842310
3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842410

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide (CID 54842504) is 3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1cccc(NCC(=O)N2CCCCCC2)c1.
What is the InChIKey of 3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide?
The InChIKey is MVGJECBSYFVVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-25-13-7-10-20-19(24)16-8-6-9-17(14-16)21-15-18(23)22-11-4-2-3-5-12-22/h6,8-9,14,21H,2-5,7,10-13,15H2,1H3,(H,20,24).
What are the key properties of 3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide?
3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide has a molecular weight of 347.46 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 54842504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).