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

C19H28N2O4 — CID 113052925

IUPACN-[2-[acetyl(cyclohexyl)amino]ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCN(C(C)=O)C2CCCCC2)c1
InChIInChI=1S/C19H28N2O4/c1-14(22)21(16-7-5-4-6-8-16)10-9-20-19(23)15-11-17(24-2)13-18(12-15)25-3/h11-13,16H,4-10H2,1-3H3,(H,20,23)
InChIKeyBHPDXOVXMGAEII-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.61
Rot. Bonds7

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

N-[2-[acetyl(cyclohexyl)amino]ethyl]-3,5-dimethoxybenzamide (PubChem CID 113052925) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[2-[acetyl(cyclohexyl)amino]ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(cyclohexyl)amino]ethyl]-3,5-dimethoxybenzamide
PubChem CID113052925
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-[2-[acetyl(cyclohexyl)amino]ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCN(C(C)=O)C2CCCCC2)c1
InChIInChI=1S/C19H28N2O4/c1-14(22)21(16-7-5-4-6-8-16)10-9-20-19(23)15-11-17(24-2)13-18(12-15)25-3/h11-13,16H,4-10H2,1-3H3,(H,20,23)
InChIKeyBHPDXOVXMGAEII-UHFFFAOYSA-N
XLogP2.61
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[acetyl(cycloheptyl)amino]ethyl]-3-methoxybenzamide
CID 113056703
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113052939
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113056718
N-[2-[acetyl(cyclohexyl)amino]ethyl]-4-methylbenzamide
CID 113052915
N-[2-[acetyl(propyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 113051850
N-[2-[acetyl(cycloheptyl)amino]ethyl]-3,4-dichlorobenzamide
CID 113056706
N-[2-[acetyl(cyclopropyl)amino]ethyl]-3,4-dimethoxybenzamide
CID 113052128
N-[3-(cyclohexylamino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191583
N-[2-(3-cyclohexylpropanoylamino)ethyl]-3,5-dimethoxybenzamide
CID 108539452
1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide
CID 170010863
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
[(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7899467

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(cyclohexyl)amino]ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-[acetyl(cyclohexyl)amino]ethyl]-3,5-dimethoxybenzamide (CID 113052925) is N-[2-[acetyl(cyclohexyl)amino]ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-[acetyl(cyclohexyl)amino]ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-[acetyl(cyclohexyl)amino]ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCN(C(C)=O)C2CCCCC2)c1.
What is the InChIKey of N-[2-[acetyl(cyclohexyl)amino]ethyl]-3,5-dimethoxybenzamide?
The InChIKey is BHPDXOVXMGAEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-14(22)21(16-7-5-4-6-8-16)10-9-20-19(23)15-11-17(24-2)13-18(12-15)25-3/h11-13,16H,4-10H2,1-3H3,(H,20,23).
What are the key properties of N-[2-[acetyl(cyclohexyl)amino]ethyl]-3,5-dimethoxybenzamide?
N-[2-[acetyl(cyclohexyl)amino]ethyl]-3,5-dimethoxybenzamide has a molecular weight of 348.44 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(cyclohexyl)amino]ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 113052925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).