N-[2-(3-cyclohexylpropanoylamino)ethyl]-3,5-dimethoxybenzamide

C20H30N2O4 — CID 108539452

IUPACN-[2-(3-cyclohexylpropanoylamino)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCNC(=O)CCC2CCCCC2)c1
InChIInChI=1S/C20H30N2O4/c1-25-17-12-16(13-18(14-17)26-2)20(24)22-11-10-21-19(23)9-8-15-6-4-3-5-7-15/h12-15H,3-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLSWGKPZGYZADNA-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.91
Rot. Bonds9

About N-[2-(3-cyclohexylpropanoylamino)ethyl]-3,5-dimethoxybenzamide

N-[2-(3-cyclohexylpropanoylamino)ethyl]-3,5-dimethoxybenzamide (PubChem CID 108539452) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[2-(3-cyclohexylpropanoylamino)ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(3-cyclohexylpropanoylamino)ethyl]-3,5-dimethoxybenzamide
PubChem CID108539452
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC NameN-[2-(3-cyclohexylpropanoylamino)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCNC(=O)CCC2CCCCC2)c1
InChIInChI=1S/C20H30N2O4/c1-25-17-12-16(13-18(14-17)26-2)20(24)22-11-10-21-19(23)9-8-15-6-4-3-5-7-15/h12-15H,3-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLSWGKPZGYZADNA-UHFFFAOYSA-N
XLogP2.91
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(cyclohexylamino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191583
N-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide
CID 108571368
N'-(4-cyclohexylbutanoyl)-3,5-dimethoxybenzohydrazide
CID 9496167
N-[2-[acetyl(cyclohexyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 113052925
3-amino-N-(2-cyclopropylethyl)-5-methoxybenzamide
CID 81092217
3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62663294
N-[2-(1,3-dioxan-2-yl)ethyl]-3,5-dimethoxybenzamide
CID 110370070
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628220
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108539471
N-(2-cyclohexyl-2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 90498790

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclohexylpropanoylamino)ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(3-cyclohexylpropanoylamino)ethyl]-3,5-dimethoxybenzamide (CID 108539452) is N-[2-(3-cyclohexylpropanoylamino)ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(3-cyclohexylpropanoylamino)ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(3-cyclohexylpropanoylamino)ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCNC(=O)CCC2CCCCC2)c1.
What is the InChIKey of N-[2-(3-cyclohexylpropanoylamino)ethyl]-3,5-dimethoxybenzamide?
The InChIKey is LSWGKPZGYZADNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-25-17-12-16(13-18(14-17)26-2)20(24)22-11-10-21-19(23)9-8-15-6-4-3-5-7-15/h12-15H,3-11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-(3-cyclohexylpropanoylamino)ethyl]-3,5-dimethoxybenzamide?
N-[2-(3-cyclohexylpropanoylamino)ethyl]-3,5-dimethoxybenzamide has a molecular weight of 362.47 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclohexylpropanoylamino)ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 108539452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).