N,N-diethyl-6-formyl-2-(methoxymethoxy)-4-phenylmethoxy-3-[(E)-prop-1-enyl]benzamide

C24H29NO5 — CID 71660685

IUPACN,N-diethyl-6-formyl-2-(methoxymethoxy)-4-phenylmethoxy-3-[(E)-prop-1-enyl]benzamide
SMILESC/C=C/c1c(OCc2ccccc2)cc(C=O)c(C(=O)N(CC)CC)c1OCOC
InChIInChI=1S/C24H29NO5/c1-5-11-20-21(29-16-18-12-9-8-10-13-18)14-19(15-26)22(23(20)30-17-28-4)24(27)25(6-2)7-3/h5,8-15H,6-7,16-17H2,1-4H3/b11-5+
InChIKeyIXUJOMMLJHWGKP-VZUCSPMQSA-N
MW411.50 g/mol
LogP4.58
Rot. Bonds11

About N,N-diethyl-6-formyl-2-(methoxymethoxy)-4-phenylmethoxy-3-[(E)-prop-1-enyl]benzamide

N,N-diethyl-6-formyl-2-(methoxymethoxy)-4-phenylmethoxy-3-[(E)-prop-1-enyl]benzamide (PubChem CID 71660685) has the molecular formula C24H29NO5 and a molecular weight of 411.50 g/mol. Its IUPAC name is N,N-diethyl-6-formyl-2-(methoxymethoxy)-4-phenylmethoxy-3-[(E)-prop-1-enyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-6-formyl-2-(methoxymethoxy)-4-phenylmethoxy-3-[(E)-prop-1-enyl]benzamide
PubChem CID71660685
Molecular FormulaC24H29NO5
Molecular Weight411.50 g/mol
Exact Mass411.20
IUPAC NameN,N-diethyl-6-formyl-2-(methoxymethoxy)-4-phenylmethoxy-3-[(E)-prop-1-enyl]benzamide
SMILESC/C=C/c1c(OCc2ccccc2)cc(C=O)c(C(=O)N(CC)CC)c1OCOC
InChIInChI=1S/C24H29NO5/c1-5-11-20-21(29-16-18-12-9-8-10-13-18)14-19(15-26)22(23(20)30-17-28-4)24(27)25(6-2)7-3/h5,8-15H,6-7,16-17H2,1-4H3/b11-5+
InChIKeyIXUJOMMLJHWGKP-VZUCSPMQSA-N
XLogP4.58
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-acetyl-4,6-bis(methoxymethoxy)-2-phenylmethoxybenzaldehyde
CID 146193205
N,N-diethyl-2-formyl-4-phenylmethoxybenzamide
CID 82544299
N,N-diethyl-2-formyl-4-methoxy-3-phenylmethoxybenzamide
CID 18504788
3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoic acid
CID 24899884
2-phenylmethoxy-3-prop-1-enylbenzaldehyde
CID 139673280
2-chloro-5-ethoxy-4-phenylmethoxybenzaldehyde
CID 890667
2-bromo-3-hydroxy-4,5-bis(phenylmethoxy)benzaldehyde
CID 73058387
1-[(Z)-2-[2,4-bis(phenylmethoxy)phenyl]ethenyl]-2-(methoxymethoxy)-4-phenylmethoxybenzene
CID 52916293
5-chloro-N,N-diethyl-2-phenylmethoxybenzamide
CID 8799985
phenyl 4-formyl-3-methoxy-2-methyl-6-phenylmethoxybenzoate
CID 126598255
2-[2,6-bis(methoxymethoxy)phenyl]-3-hydroxy-6-phenylmethoxybenzaldehyde
CID 135029831
CID 160842253
CID 160842253

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-formyl-2-(methoxymethoxy)-4-phenylmethoxy-3-[(E)-prop-1-enyl]benzamide?
The IUPAC name of N,N-diethyl-6-formyl-2-(methoxymethoxy)-4-phenylmethoxy-3-[(E)-prop-1-enyl]benzamide (CID 71660685) is N,N-diethyl-6-formyl-2-(methoxymethoxy)-4-phenylmethoxy-3-[(E)-prop-1-enyl]benzamide.
What is the SMILES notation for N,N-diethyl-6-formyl-2-(methoxymethoxy)-4-phenylmethoxy-3-[(E)-prop-1-enyl]benzamide?
The canonical SMILES for N,N-diethyl-6-formyl-2-(methoxymethoxy)-4-phenylmethoxy-3-[(E)-prop-1-enyl]benzamide is C/C=C/c1c(OCc2ccccc2)cc(C=O)c(C(=O)N(CC)CC)c1OCOC.
What is the InChIKey of N,N-diethyl-6-formyl-2-(methoxymethoxy)-4-phenylmethoxy-3-[(E)-prop-1-enyl]benzamide?
The InChIKey is IXUJOMMLJHWGKP-VZUCSPMQSA-N. The full InChI is InChI=1S/C24H29NO5/c1-5-11-20-21(29-16-18-12-9-8-10-13-18)14-19(15-26)22(23(20)30-17-28-4)24(27)25(6-2)7-3/h5,8-15H,6-7,16-17H2,1-4H3/b11-5+.
What are the key properties of N,N-diethyl-6-formyl-2-(methoxymethoxy)-4-phenylmethoxy-3-[(E)-prop-1-enyl]benzamide?
N,N-diethyl-6-formyl-2-(methoxymethoxy)-4-phenylmethoxy-3-[(E)-prop-1-enyl]benzamide has a molecular weight of 411.50 g/mol, XLogP of 4.58, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-formyl-2-(methoxymethoxy)-4-phenylmethoxy-3-[(E)-prop-1-enyl]benzamide is sourced from PubChem (CID 71660685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).