4-methoxy-N-[(1-methoxycyclohexyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide

C22H28N2O4 — CID 91648934

IUPAC4-methoxy-N-[(1-methoxycyclohexyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide
SMILESCOc1ccc(C(=O)NCC2(OC)CCCCC2)cc1OCc1ccncc1
InChIInChI=1S/C22H28N2O4/c1-26-19-7-6-18(14-20(19)28-15-17-8-12-23-13-9-17)21(25)24-16-22(27-2)10-4-3-5-11-22/h6-9,12-14H,3-5,10-11,15-16H2,1-2H3,(H,24,25)
InChIKeyNEOAWPHAJOTHCS-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.75
Rot. Bonds8

About 4-methoxy-N-[(1-methoxycyclohexyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide

4-methoxy-N-[(1-methoxycyclohexyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide (PubChem CID 91648934) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-methoxy-N-[(1-methoxycyclohexyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(1-methoxycyclohexyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide
PubChem CID91648934
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-methoxy-N-[(1-methoxycyclohexyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide
SMILESCOc1ccc(C(=O)NCC2(OC)CCCCC2)cc1OCc1ccncc1
InChIInChI=1S/C22H28N2O4/c1-26-19-7-6-18(14-20(19)28-15-17-8-12-23-13-9-17)21(25)24-16-22(27-2)10-4-3-5-11-22/h6-9,12-14H,3-5,10-11,15-16H2,1-2H3,(H,24,25)
InChIKeyNEOAWPHAJOTHCS-UHFFFAOYSA-N
XLogP3.75
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide
CID 31816152
N-(1-adamantylmethyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 37267231
methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate
CID 16785387
4-acetamido-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 43068273
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide
CID 115365522
N-[3-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 38629448
N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-3-methoxy-4-phenylmethoxybenzamide
CID 86946723
4-methoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-(pyridin-4-ylmethoxy)benzamide
CID 25344200
4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55745020
3-methoxy-4-(pyridin-4-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 25349706
N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-4-phenylbenzamide
CID 38629097
3,5-dichloro-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46427791

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1-methoxycyclohexyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide?
The IUPAC name of 4-methoxy-N-[(1-methoxycyclohexyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide (CID 91648934) is 4-methoxy-N-[(1-methoxycyclohexyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide.
What is the SMILES notation for 4-methoxy-N-[(1-methoxycyclohexyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide?
The canonical SMILES for 4-methoxy-N-[(1-methoxycyclohexyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide is COc1ccc(C(=O)NCC2(OC)CCCCC2)cc1OCc1ccncc1.
What is the InChIKey of 4-methoxy-N-[(1-methoxycyclohexyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide?
The InChIKey is NEOAWPHAJOTHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-26-19-7-6-18(14-20(19)28-15-17-8-12-23-13-9-17)21(25)24-16-22(27-2)10-4-3-5-11-22/h6-9,12-14H,3-5,10-11,15-16H2,1-2H3,(H,24,25).
What are the key properties of 4-methoxy-N-[(1-methoxycyclohexyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide?
4-methoxy-N-[(1-methoxycyclohexyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide has a molecular weight of 384.48 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1-methoxycyclohexyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide is sourced from PubChem (CID 91648934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).