N-[4-[acetyl(methyl)amino]phenyl]-3-(4-butoxy-3-methoxyphenyl)prop-2-enamide

C23H28N2O4 — CID 103598851

IUPACN-[4-[acetyl(methyl)amino]phenyl]-3-(4-butoxy-3-methoxyphenyl)prop-2-enamide
SMILESCCCCOc1ccc(C=CC(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1OC
InChIInChI=1S/C23H28N2O4/c1-5-6-15-29-21-13-7-18(16-22(21)28-4)8-14-23(27)24-19-9-11-20(12-10-19)25(3)17(2)26/h7-14,16H,5-6,15H2,1-4H3,(H,24,27)
InChIKeyHODZASGROWNNBL-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.51
Rot. Bonds9

About N-[4-[acetyl(methyl)amino]phenyl]-3-(4-butoxy-3-methoxyphenyl)prop-2-enamide

N-[4-[acetyl(methyl)amino]phenyl]-3-(4-butoxy-3-methoxyphenyl)prop-2-enamide (PubChem CID 103598851) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-3-(4-butoxy-3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-3-(4-butoxy-3-methoxyphenyl)prop-2-enamide
PubChem CID103598851
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-3-(4-butoxy-3-methoxyphenyl)prop-2-enamide
SMILESCCCCOc1ccc(C=CC(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1OC
InChIInChI=1S/C23H28N2O4/c1-5-6-15-29-21-13-7-18(16-22(21)28-4)8-14-23(27)24-19-9-11-20(12-10-19)25(3)17(2)26/h7-14,16H,5-6,15H2,1-4H3,(H,24,27)
InChIKeyHODZASGROWNNBL-UHFFFAOYSA-N
XLogP4.51
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2788614
(E)-3-(4-hexoxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 102534554
N-[4-(dimethylamino)phenyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5183388
3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide
CID 3433146
butyl 4-[[(E)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]benzoate
CID 19169814
4-[2-methoxy-4-[3-[4-[3-[3-methoxy-4-(4-prop-2-enoyloxybutoxy)phenyl]prop-2-enoyl-methylamino]anilino]-3-oxoprop-1-enyl]phenoxy]butyl prop-2-enoate
CID 76787872
3-(4-hexoxy-3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 2791081
N-(3,5-dimethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 4086044
N-[4-(diethylamino)phenyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5183385
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-(4-butoxy-3-methoxyphenyl)prop-2-enamide
CID 55744196
(E)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 19165851
3-(3-methoxy-4-pentoxyphenyl)-N-naphthalen-2-ylprop-2-enamide
CID 4094107

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-3-(4-butoxy-3-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-3-(4-butoxy-3-methoxyphenyl)prop-2-enamide (CID 103598851) is N-[4-[acetyl(methyl)amino]phenyl]-3-(4-butoxy-3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-3-(4-butoxy-3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-3-(4-butoxy-3-methoxyphenyl)prop-2-enamide is CCCCOc1ccc(C=CC(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1OC.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-3-(4-butoxy-3-methoxyphenyl)prop-2-enamide?
The InChIKey is HODZASGROWNNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-5-6-15-29-21-13-7-18(16-22(21)28-4)8-14-23(27)24-19-9-11-20(12-10-19)25(3)17(2)26/h7-14,16H,5-6,15H2,1-4H3,(H,24,27).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-3-(4-butoxy-3-methoxyphenyl)prop-2-enamide?
N-[4-[acetyl(methyl)amino]phenyl]-3-(4-butoxy-3-methoxyphenyl)prop-2-enamide has a molecular weight of 396.49 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-3-(4-butoxy-3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 103598851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).