3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide

C26H30N2O5 — CID 4309421

IUPAC3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNCc2ccc(OCc3ccccc3)c(OC)c2)cc1OC
InChIInChI=1S/C26H30N2O5/c1-30-22-12-10-21(16-25(22)32-3)26(29)28-14-13-27-17-20-9-11-23(24(15-20)31-2)33-18-19-7-5-4-6-8-19/h4-12,15-16,27H,13-14,17-18H2,1-3H3,(H,28,29)
InChIKeyBMPMBQOYZFCBGP-UHFFFAOYSA-N
MW450.54 g/mol
LogP3.81
Rot. Bonds12

About 3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide

3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide (PubChem CID 4309421) has the molecular formula C26H30N2O5 and a molecular weight of 450.54 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide
PubChem CID4309421
Molecular FormulaC26H30N2O5
Molecular Weight450.54 g/mol
Exact Mass450.22
IUPAC Name3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNCc2ccc(OCc3ccccc3)c(OC)c2)cc1OC
InChIInChI=1S/C26H30N2O5/c1-30-22-12-10-21(16-25(22)32-3)26(29)28-14-13-27-17-20-9-11-23(24(15-20)31-2)33-18-19-7-5-4-6-8-19/h4-12,15-16,27H,13-14,17-18H2,1-3H3,(H,28,29)
InChIKeyBMPMBQOYZFCBGP-UHFFFAOYSA-N
XLogP3.81
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 8756994
N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 55975456
N,N'-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]butane-1,4-diamine
CID 57403137
3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide
CID 55431173
N-[2-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl]furan-2-carboxamide
CID 112828718
N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide
CID 112789277
3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 55381483
4-[(4-chlorophenyl)methoxy]-N-[2-(ethylamino)ethyl]-3-methoxybenzamide
CID 119509071
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791
3-methoxy-N-[(E)-pent-3-enyl]-4-phenylmethoxybenzamide
CID 86952806
3-(carbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 9470765
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide
CID 26733446

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide (CID 4309421) is 3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide is COc1ccc(C(=O)NCCNCc2ccc(OCc3ccccc3)c(OC)c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide?
The InChIKey is BMPMBQOYZFCBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5/c1-30-22-12-10-21(16-25(22)32-3)26(29)28-14-13-27-17-20-9-11-23(24(15-20)31-2)33-18-19-7-5-4-6-8-19/h4-12,15-16,27H,13-14,17-18H2,1-3H3,(H,28,29).
What are the key properties of 3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide?
3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide has a molecular weight of 450.54 g/mol, XLogP of 3.81, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide is sourced from PubChem (CID 4309421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).