N-(cyclohexylmethyl)-3,5-dimethoxy-4-prop-2-ynoxybenzamide

C19H25NO4 — CID 57445670

IUPACN-(cyclohexylmethyl)-3,5-dimethoxy-4-prop-2-ynoxybenzamide
SMILESC#CCOc1c(OC)cc(C(=O)NCC2CCCCC2)cc1OC
InChIInChI=1S/C19H25NO4/c1-4-10-24-18-16(22-2)11-15(12-17(18)23-3)19(21)20-13-14-8-6-5-7-9-14/h1,11-12,14H,5-10,13H2,2-3H3,(H,20,21)
InChIKeyNXTBCXZPJUMRBG-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.03
Rot. Bonds7

About N-(cyclohexylmethyl)-3,5-dimethoxy-4-prop-2-ynoxybenzamide

N-(cyclohexylmethyl)-3,5-dimethoxy-4-prop-2-ynoxybenzamide (PubChem CID 57445670) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3,5-dimethoxy-4-prop-2-ynoxybenzamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3,5-dimethoxy-4-prop-2-ynoxybenzamide
PubChem CID57445670
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC NameN-(cyclohexylmethyl)-3,5-dimethoxy-4-prop-2-ynoxybenzamide
SMILESC#CCOc1c(OC)cc(C(=O)NCC2CCCCC2)cc1OC
InChIInChI=1S/C19H25NO4/c1-4-10-24-18-16(22-2)11-15(12-17(18)23-3)19(21)20-13-14-8-6-5-7-9-14/h1,11-12,14H,5-10,13H2,2-3H3,(H,20,21)
InChIKeyNXTBCXZPJUMRBG-UHFFFAOYSA-N
XLogP3.03
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylmethyl)-3,5-difluoro-4-prop-2-ynoxybenzamide
CID 57445704
N-(cyclohexylmethyl)-3-fluoro-5-nitro-4-prop-2-ynoxybenzamide
CID 59243696
N-(cyclopentylmethyl)-3-fluoro-4-prop-2-ynoxybenzamide
CID 57445710
N-(3-cyclohexylpropyl)-3-methoxy-4-prop-2-ynoxybenzamide
CID 57445676
tert-butyl N-[2-[(3,5-dimethoxy-4-prop-2-ynoxybenzoyl)amino]ethyl]carbamate
CID 175868125
N-(cyclohexylmethyl)-2,3,5-trifluoro-4-prop-2-ynoxybenzamide
CID 59226988
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771
N-cyclohexyl-3,5-difluoro-4-prop-2-ynoxybenzamide
CID 57445697
3,4,5-trimethoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895501
N-(cyclohexylmethyl)-3,4-dimethylbenzamide
CID 55349047
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
3,5-diamino-N-(cyclopentylmethyl)benzamide
CID 61095768

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3,5-dimethoxy-4-prop-2-ynoxybenzamide?
The IUPAC name of N-(cyclohexylmethyl)-3,5-dimethoxy-4-prop-2-ynoxybenzamide (CID 57445670) is N-(cyclohexylmethyl)-3,5-dimethoxy-4-prop-2-ynoxybenzamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3,5-dimethoxy-4-prop-2-ynoxybenzamide?
The canonical SMILES for N-(cyclohexylmethyl)-3,5-dimethoxy-4-prop-2-ynoxybenzamide is C#CCOc1c(OC)cc(C(=O)NCC2CCCCC2)cc1OC.
What is the InChIKey of N-(cyclohexylmethyl)-3,5-dimethoxy-4-prop-2-ynoxybenzamide?
The InChIKey is NXTBCXZPJUMRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-4-10-24-18-16(22-2)11-15(12-17(18)23-3)19(21)20-13-14-8-6-5-7-9-14/h1,11-12,14H,5-10,13H2,2-3H3,(H,20,21).
What are the key properties of N-(cyclohexylmethyl)-3,5-dimethoxy-4-prop-2-ynoxybenzamide?
N-(cyclohexylmethyl)-3,5-dimethoxy-4-prop-2-ynoxybenzamide has a molecular weight of 331.41 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3,5-dimethoxy-4-prop-2-ynoxybenzamide is sourced from PubChem (CID 57445670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).