N-(3-methoxypropyl)-3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide

C18H27N3O4 — CID 54815502

IUPACN-(3-methoxypropyl)-3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)CNCC2CCCO2)c1
InChIInChI=1S/C18H27N3O4/c1-24-9-4-8-20-18(23)14-5-2-6-15(11-14)21-17(22)13-19-12-16-7-3-10-25-16/h2,5-6,11,16,19H,3-4,7-10,12-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyNGBXFSJUDMRCHW-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.16
Rot. Bonds10

About N-(3-methoxypropyl)-3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide

N-(3-methoxypropyl)-3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide (PubChem CID 54815502) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide
PubChem CID54815502
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC NameN-(3-methoxypropyl)-3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)CNCC2CCCO2)c1
InChIInChI=1S/C18H27N3O4/c1-24-9-4-8-20-18(23)14-5-2-6-15(11-14)21-17(22)13-19-12-16-7-3-10-25-16/h2,5-6,11,16,19H,3-4,7-10,12-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyNGBXFSJUDMRCHW-UHFFFAOYSA-N
XLogP1.16
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.16
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-(3-methoxypropyl)-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54842734
N-(3-methoxypropyl)-3-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54821463
3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836981
3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54820604
3-[[2-(4-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54812361
methyl 4-oxo-4-[3-(oxolan-2-ylmethylcarbamoyl)anilino]butanoate
CID 17202291
N-[3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]phenyl]butanamide
CID 54815821
3-[[2-(2-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54817562
3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17202307
3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54842684
dimethyl 5-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzene-1,3-dicarboxylate
CID 119673692
3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 110745062

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide?
The IUPAC name of N-(3-methoxypropyl)-3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide (CID 54815502) is N-(3-methoxypropyl)-3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide is COCCCNC(=O)c1cccc(NC(=O)CNCC2CCCO2)c1.
What is the InChIKey of N-(3-methoxypropyl)-3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide?
The InChIKey is NGBXFSJUDMRCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-24-9-4-8-20-18(23)14-5-2-6-15(11-14)21-17(22)13-19-12-16-7-3-10-25-16/h2,5-6,11,16,19H,3-4,7-10,12-13H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-(3-methoxypropyl)-3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide?
N-(3-methoxypropyl)-3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide has a molecular weight of 349.43 g/mol, XLogP of 1.16, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide is sourced from PubChem (CID 54815502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).