3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide

C15H21N3O3 — CID 54820604

IUPAC3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCNCC(=O)Nc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C15H21N3O3/c1-16-10-14(19)18-12-5-2-4-11(8-12)15(20)17-9-13-6-3-7-21-13/h2,4-5,8,13,16H,3,6-7,9-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyAHIISFYNVUSRTC-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.75
Rot. Bonds6

About 3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide

3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 54820604) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID54820604
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCNCC(=O)Nc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C15H21N3O3/c1-16-10-14(19)18-12-5-2-4-11(8-12)15(20)17-9-13-6-3-7-21-13/h2,4-5,8,13,16H,3,6-7,9-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyAHIISFYNVUSRTC-UHFFFAOYSA-N
XLogP0.75
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54842684
3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17362725
3-[[2-(4-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54812361
3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836981
methyl 4-oxo-4-[3-(oxolan-2-ylmethylcarbamoyl)anilino]butanoate
CID 17202291
3-[[2-(2-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54817562
3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17202280
3-methyl-N-[4-[[2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]acetyl]amino]phenyl]benzamide
CID 54837105
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]-N-(1-phenylethyl)benzamide
CID 54842128
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 54837066
2-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54812102

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide (CID 54820604) is 3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide is CNCC(=O)Nc1cccc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is AHIISFYNVUSRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-16-10-14(19)18-12-5-2-4-11(8-12)15(20)17-9-13-6-3-7-21-13/h2,4-5,8,13,16H,3,6-7,9-10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 291.35 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 54820604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).