N-(4-ethoxyphenyl)-3,5-dimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide

C27H29NO4 — CID 42697315

IUPACN-(4-ethoxyphenyl)-3,5-dimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
SMILESCCOc1ccc(N(C/C(C)=C/c2ccccc2)C(=O)c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C27H29NO4/c1-5-32-24-13-11-23(12-14-24)28(19-20(2)15-21-9-7-6-8-10-21)27(29)22-16-25(30-3)18-26(17-22)31-4/h6-18H,5,19H2,1-4H3/b20-15+
InChIKeyNDZFNVQGHVLSDQ-HMMYKYKNSA-N
MW431.53 g/mol
LogP5.85
Rot. Bonds9

About N-(4-ethoxyphenyl)-3,5-dimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide

N-(4-ethoxyphenyl)-3,5-dimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide (PubChem CID 42697315) has the molecular formula C27H29NO4 and a molecular weight of 431.53 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3,5-dimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3,5-dimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
PubChem CID42697315
Molecular FormulaC27H29NO4
Molecular Weight431.53 g/mol
Exact Mass431.21
IUPAC NameN-(4-ethoxyphenyl)-3,5-dimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
SMILESCCOc1ccc(N(C/C(C)=C/c2ccccc2)C(=O)c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C27H29NO4/c1-5-32-24-13-11-23(12-14-24)28(19-20(2)15-21-9-7-6-8-10-21)27(29)22-16-25(30-3)18-26(17-22)31-4/h6-18H,5,19H2,1-4H3/b20-15+
InChIKeyNDZFNVQGHVLSDQ-HMMYKYKNSA-N
XLogP5.85
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.53
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide
CID 42697314
N-(4-ethoxyphenyl)-4-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 42697308
1-(4-ethoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea
CID 42697597
N-(4-ethoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzenesulfonamide
CID 42697318
3-cyclopentyl-N-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]propanamide
CID 42697749
4-ethoxy-N-ethyl-N-phenylbenzamide
CID 721190
2-(N-(3-methoxybenzoyl)anilino)acetic acid
CID 28765030
3-(1-adamantyl)-1-(4-methoxyphenyl)-1-(2-methyl-3-phenylprop-2-enyl)urea
CID 4647974
3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzamide
CID 42696233
N-ethyl-3-methoxy-N-phenylbenzamide
CID 3345220
3-amino-5-ethoxy-N-ethyl-N-phenylbenzamide
CID 81094810
2-(N-acetyl-4-ethoxyanilino)-N-methyl-N-phenylacetamide
CID 113173931

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3,5-dimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-3,5-dimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide (CID 42697315) is N-(4-ethoxyphenyl)-3,5-dimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3,5-dimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3,5-dimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide is CCOc1ccc(N(C/C(C)=C/c2ccccc2)C(=O)c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3,5-dimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide?
The InChIKey is NDZFNVQGHVLSDQ-HMMYKYKNSA-N. The full InChI is InChI=1S/C27H29NO4/c1-5-32-24-13-11-23(12-14-24)28(19-20(2)15-21-9-7-6-8-10-21)27(29)22-16-25(30-3)18-26(17-22)31-4/h6-18H,5,19H2,1-4H3/b20-15+.
What are the key properties of N-(4-ethoxyphenyl)-3,5-dimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide?
N-(4-ethoxyphenyl)-3,5-dimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide has a molecular weight of 431.53 g/mol, XLogP of 5.85, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3,5-dimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide is sourced from PubChem (CID 42697315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).