N-[2-[acetyl(cyclopropyl)amino]ethyl]-3,4-dimethoxybenzamide

C16H22N2O4 — CID 113052128

IUPACN-[2-[acetyl(cyclopropyl)amino]ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCN(C(C)=O)C2CC2)cc1OC
InChIInChI=1S/C16H22N2O4/c1-11(19)18(13-5-6-13)9-8-17-16(20)12-4-7-14(21-2)15(10-12)22-3/h4,7,10,13H,5-6,8-9H2,1-3H3,(H,17,20)
InChIKeyFHQOHROBZLHICF-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.44
Rot. Bonds7

About N-[2-[acetyl(cyclopropyl)amino]ethyl]-3,4-dimethoxybenzamide

N-[2-[acetyl(cyclopropyl)amino]ethyl]-3,4-dimethoxybenzamide (PubChem CID 113052128) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[2-[acetyl(cyclopropyl)amino]ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(cyclopropyl)amino]ethyl]-3,4-dimethoxybenzamide
PubChem CID113052128
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-[2-[acetyl(cyclopropyl)amino]ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCN(C(C)=O)C2CC2)cc1OC
InChIInChI=1S/C16H22N2O4/c1-11(19)18(13-5-6-13)9-8-17-16(20)12-4-7-14(21-2)15(10-12)22-3/h4,7,10,13H,5-6,8-9H2,1-3H3,(H,17,20)
InChIKeyFHQOHROBZLHICF-UHFFFAOYSA-N
XLogP1.44
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
CID 32968765
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxy-4-methoxybenzamide
CID 79673447
N-[2-[acetyl(cycloheptyl)amino]ethyl]-3-methoxybenzamide
CID 113056703
N-[2-[acetyl(cyclopropyl)amino]ethyl]-3-chlorobenzamide
CID 113052148
N-[2-[cyclohexyl(methyl)sulfamoyl]ethyl]-3,4-dimethoxybenzamide
CID 7618708
N-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide
CID 38335556
N-[2-[acetyl(cyclohexyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 113052925
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3,4-dimethylbenzamide
CID 113061310
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3,4-dimethoxybenzamide
CID 113064623
N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-3,4-dimethoxybenzamide
CID 113056437
N-[2-(N-acetyl-2-chloroanilino)ethyl]-3,4-dimethoxybenzamide
CID 113059429
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(cyclopropyl)amino]ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[acetyl(cyclopropyl)amino]ethyl]-3,4-dimethoxybenzamide (CID 113052128) is N-[2-[acetyl(cyclopropyl)amino]ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[acetyl(cyclopropyl)amino]ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[acetyl(cyclopropyl)amino]ethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCCN(C(C)=O)C2CC2)cc1OC.
What is the InChIKey of N-[2-[acetyl(cyclopropyl)amino]ethyl]-3,4-dimethoxybenzamide?
The InChIKey is FHQOHROBZLHICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11(19)18(13-5-6-13)9-8-17-16(20)12-4-7-14(21-2)15(10-12)22-3/h4,7,10,13H,5-6,8-9H2,1-3H3,(H,17,20).
What are the key properties of N-[2-[acetyl(cyclopropyl)amino]ethyl]-3,4-dimethoxybenzamide?
N-[2-[acetyl(cyclopropyl)amino]ethyl]-3,4-dimethoxybenzamide has a molecular weight of 306.36 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(cyclopropyl)amino]ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 113052128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).