N-[2,5-diethoxy-4-[[(E)-3-(4-propoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide

C29H32N2O5 — CID 19181852

IUPACN-[2,5-diethoxy-4-[[(E)-3-(4-propoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
SMILESCCCOc1ccc(/C=C/C(=O)Nc2cc(OCC)c(NC(=O)c3ccccc3)cc2OCC)cc1
InChIInChI=1S/C29H32N2O5/c1-4-18-36-23-15-12-21(13-16-23)14-17-28(32)30-24-19-27(35-6-3)25(20-26(24)34-5-2)31-29(33)22-10-8-7-9-11-22/h7-17,19-20H,4-6,18H2,1-3H3,(H,30,32)(H,31,33)/b17-14+
InChIKeyPFKRUYXHHUSQEG-SAPNQHFASA-N
MW488.58 g/mol
LogP6.18
Rot. Bonds12

About N-[2,5-diethoxy-4-[[(E)-3-(4-propoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide

N-[2,5-diethoxy-4-[[(E)-3-(4-propoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide (PubChem CID 19181852) has the molecular formula C29H32N2O5 and a molecular weight of 488.58 g/mol. Its IUPAC name is N-[2,5-diethoxy-4-[[(E)-3-(4-propoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2,5-diethoxy-4-[[(E)-3-(4-propoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
PubChem CID19181852
Molecular FormulaC29H32N2O5
Molecular Weight488.58 g/mol
Exact Mass488.23
IUPAC NameN-[2,5-diethoxy-4-[[(E)-3-(4-propoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
SMILESCCCOc1ccc(/C=C/C(=O)Nc2cc(OCC)c(NC(=O)c3ccccc3)cc2OCC)cc1
InChIInChI=1S/C29H32N2O5/c1-4-18-36-23-15-12-21(13-16-23)14-17-28(32)30-24-19-27(35-6-3)25(20-26(24)34-5-2)31-29(33)22-10-8-7-9-11-22/h7-17,19-20H,4-6,18H2,1-3H3,(H,30,32)(H,31,33)/b17-14+
InChIKeyPFKRUYXHHUSQEG-SAPNQHFASA-N
XLogP6.18
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.58
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2,5-diethoxy-4-[3-(4-methoxyphenyl)prop-2-enoylamino]phenyl]benzamide
CID 4642597
N-[4-[3-(4-ethoxyphenyl)prop-2-enoylamino]-2,5-dimethoxyphenyl]benzamide
CID 4642812
N-[4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]-2,5-diethoxyphenyl]benzamide
CID 46554620
N-[2,5-diethoxy-4-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 19185153
N-[4-[[(E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19236857
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
(E)-N-(2-iodophenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 55771428
N-[4-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]amino]-2,5-diethoxyphenyl]benzamide
CID 35865429
N-[2,5-dimethoxy-4-[3-(4-methylphenyl)prop-2-enoylamino]phenyl]benzamide
CID 4642816
(E)-N-(5-formyl-2-propoxyphenyl)-3-phenylprop-2-enamide
CID 94763034
N-[2,5-diethoxy-4-[3-(4-ethylphenoxy)propanoylamino]phenyl]benzamide
CID 108795827
N-[2,5-diethoxy-4-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]benzamide
CID 19237102

Frequently Asked Questions

What is the IUPAC name of N-[2,5-diethoxy-4-[[(E)-3-(4-propoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide?
The IUPAC name of N-[2,5-diethoxy-4-[[(E)-3-(4-propoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide (CID 19181852) is N-[2,5-diethoxy-4-[[(E)-3-(4-propoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[2,5-diethoxy-4-[[(E)-3-(4-propoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide?
The canonical SMILES for N-[2,5-diethoxy-4-[[(E)-3-(4-propoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide is CCCOc1ccc(/C=C/C(=O)Nc2cc(OCC)c(NC(=O)c3ccccc3)cc2OCC)cc1.
What is the InChIKey of N-[2,5-diethoxy-4-[[(E)-3-(4-propoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide?
The InChIKey is PFKRUYXHHUSQEG-SAPNQHFASA-N. The full InChI is InChI=1S/C29H32N2O5/c1-4-18-36-23-15-12-21(13-16-23)14-17-28(32)30-24-19-27(35-6-3)25(20-26(24)34-5-2)31-29(33)22-10-8-7-9-11-22/h7-17,19-20H,4-6,18H2,1-3H3,(H,30,32)(H,31,33)/b17-14+.
What are the key properties of N-[2,5-diethoxy-4-[[(E)-3-(4-propoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide?
N-[2,5-diethoxy-4-[[(E)-3-(4-propoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide has a molecular weight of 488.58 g/mol, XLogP of 6.18, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-diethoxy-4-[[(E)-3-(4-propoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide is sourced from PubChem (CID 19181852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).