N-[(3-phenylmethoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide

C26H29NO5 — CID 55843576

IUPACN-[(3-phenylmethoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NCc2cccc(OCc3ccccc3)c2)cc(OC)c1OC
InChIInChI=1S/C26H29NO5/c1-29-23-15-20(16-24(30-2)26(23)31-3)12-13-25(28)27-17-21-10-7-11-22(14-21)32-18-19-8-5-4-6-9-19/h4-11,14-16H,12-13,17-18H2,1-3H3,(H,27,28)
InChIKeyRJVCZMBVMIHWCC-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.54
Rot. Bonds11

About N-[(3-phenylmethoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide

N-[(3-phenylmethoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 55843576) has the molecular formula C26H29NO5 and a molecular weight of 435.52 g/mol. Its IUPAC name is N-[(3-phenylmethoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(3-phenylmethoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID55843576
Molecular FormulaC26H29NO5
Molecular Weight435.52 g/mol
Exact Mass435.20
IUPAC NameN-[(3-phenylmethoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NCc2cccc(OCc3ccccc3)c2)cc(OC)c1OC
InChIInChI=1S/C26H29NO5/c1-29-23-15-20(16-24(30-2)26(23)31-3)12-13-25(28)27-17-21-10-7-11-22(14-21)32-18-19-8-5-4-6-9-19/h4-11,14-16H,12-13,17-18H2,1-3H3,(H,27,28)
InChIKeyRJVCZMBVMIHWCC-UHFFFAOYSA-N
XLogP4.54
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 38019787
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
3,5-dimethoxy-N-[(3-methoxyphenyl)methyl]-4-phenylmethoxybenzamide
CID 9456400
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
N-[(4-phenylmethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55871682
tert-butyl N-[3-oxo-3-[(3-phenylmethoxyphenyl)methylamino]propyl]carbamate
CID 55846532
4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutanoate
CID 9151302
2-[3-[[3-(3,5-dimethylphenyl)propanoylamino]methyl]phenoxy]acetic acid
CID 120527410
4-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 120559289
N-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2679607
3,4,5-trimethoxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
CID 108538155
3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 9483500

Frequently Asked Questions

What is the IUPAC name of N-[(3-phenylmethoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-[(3-phenylmethoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide (CID 55843576) is N-[(3-phenylmethoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[(3-phenylmethoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[(3-phenylmethoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)NCc2cccc(OCc3ccccc3)c2)cc(OC)c1OC.
What is the InChIKey of N-[(3-phenylmethoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is RJVCZMBVMIHWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO5/c1-29-23-15-20(16-24(30-2)26(23)31-3)12-13-25(28)27-17-21-10-7-11-22(14-21)32-18-19-8-5-4-6-9-19/h4-11,14-16H,12-13,17-18H2,1-3H3,(H,27,28).
What are the key properties of N-[(3-phenylmethoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
N-[(3-phenylmethoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 435.52 g/mol, XLogP of 4.54, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenylmethoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 55843576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).