3,5-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide

C20H25NO4 — CID 47043818

IUPAC3,5-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2ccc(COC(C)C)cc2)c1
InChIInChI=1S/C20H25NO4/c1-14(2)25-13-16-7-5-15(6-8-16)12-21-20(22)17-9-18(23-3)11-19(10-17)24-4/h5-11,14H,12-13H2,1-4H3,(H,21,22)
InChIKeyRXYVUIBRTNBDAK-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.56
Rot. Bonds8

About 3,5-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide

3,5-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide (PubChem CID 47043818) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
PubChem CID47043818
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name3,5-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2ccc(COC(C)C)cc2)c1
InChIInChI=1S/C20H25NO4/c1-14(2)25-13-16-7-5-15(6-8-16)12-21-20(22)17-9-18(23-3)11-19(10-17)24-4/h5-11,14H,12-13H2,1-4H3,(H,21,22)
InChIKeyRXYVUIBRTNBDAK-UHFFFAOYSA-N
XLogP3.56
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 835462
methyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate
CID 18106671
N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 1335598
3,4-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-5-prop-2-enylbenzamide
CID 55748619
3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1011870
N-[[4-(propan-2-yloxymethyl)phenyl]methyl]furan-3-carboxamide
CID 47043832
1-[[4-[[(3,5-dimethoxybenzoyl)amino]carbamoyl]phenyl]methyl]-3-propan-2-ylurea
CID 9328543
3,5-dimethyl-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
CID 60516567
N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide
CID 55798141
(4-methoxyphenyl)methyl (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
CID 16577363
4,6,7-trimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55869036
3,5-dichloro-4-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55588763

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide (CID 47043818) is 3,5-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide is COc1cc(OC)cc(C(=O)NCc2ccc(COC(C)C)cc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
The InChIKey is RXYVUIBRTNBDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-14(2)25-13-16-7-5-15(6-8-16)12-21-20(22)17-9-18(23-3)11-19(10-17)24-4/h5-11,14H,12-13H2,1-4H3,(H,21,22).
What are the key properties of 3,5-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
3,5-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide has a molecular weight of 343.42 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 47043818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).