N-[2-[acetyl(propyl)amino]ethyl]-3,5-dimethoxybenzamide

C16H24N2O4 — CID 113051850

IUPACN-[2-[acetyl(propyl)amino]ethyl]-3,5-dimethoxybenzamide
SMILESCCCN(CCNC(=O)c1cc(OC)cc(OC)c1)C(C)=O
InChIInChI=1S/C16H24N2O4/c1-5-7-18(12(2)19)8-6-17-16(20)13-9-14(21-3)11-15(10-13)22-4/h9-11H,5-8H2,1-4H3,(H,17,20)
InChIKeyZXBNNORKKMHVLH-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.69
Rot. Bonds8

About N-[2-[acetyl(propyl)amino]ethyl]-3,5-dimethoxybenzamide

N-[2-[acetyl(propyl)amino]ethyl]-3,5-dimethoxybenzamide (PubChem CID 113051850) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[2-[acetyl(propyl)amino]ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(propyl)amino]ethyl]-3,5-dimethoxybenzamide
PubChem CID113051850
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-[2-[acetyl(propyl)amino]ethyl]-3,5-dimethoxybenzamide
SMILESCCCN(CCNC(=O)c1cc(OC)cc(OC)c1)C(C)=O
InChIInChI=1S/C16H24N2O4/c1-5-7-18(12(2)19)8-6-17-16(20)13-9-14(21-3)11-15(10-13)22-4/h9-11H,5-8H2,1-4H3,(H,17,20)
InChIKeyZXBNNORKKMHVLH-UHFFFAOYSA-N
XLogP1.69
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-3,5-dimethoxybenzamide
CID 113055017
N-[2-[acetyl(pentyl)amino]ethyl]-3-methoxybenzamide
CID 113056954
N-[2-[acetyl(cyclohexyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 113052925
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
N-[2-[acetyl(propyl)amino]ethyl]-3,4-difluorobenzamide
CID 113051885
N-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide
CID 108571368
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62663294
1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide
CID 170010863
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108539471
N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3,5-dimethoxybenzamide
CID 113057678
3,5-dimethoxy-N-(2-oxopropyl)benzamide
CID 64996551

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(propyl)amino]ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-[acetyl(propyl)amino]ethyl]-3,5-dimethoxybenzamide (CID 113051850) is N-[2-[acetyl(propyl)amino]ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-[acetyl(propyl)amino]ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-[acetyl(propyl)amino]ethyl]-3,5-dimethoxybenzamide is CCCN(CCNC(=O)c1cc(OC)cc(OC)c1)C(C)=O.
What is the InChIKey of N-[2-[acetyl(propyl)amino]ethyl]-3,5-dimethoxybenzamide?
The InChIKey is ZXBNNORKKMHVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-5-7-18(12(2)19)8-6-17-16(20)13-9-14(21-3)11-15(10-13)22-4/h9-11H,5-8H2,1-4H3,(H,17,20).
What are the key properties of N-[2-[acetyl(propyl)amino]ethyl]-3,5-dimethoxybenzamide?
N-[2-[acetyl(propyl)amino]ethyl]-3,5-dimethoxybenzamide has a molecular weight of 308.38 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(propyl)amino]ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 113051850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).