N-[1-(4-methoxyphenyl)-3-(3-methoxypropylamino)-3-oxoprop-1-en-2-yl]benzamide

C21H24N2O4 — CID 3726338

IUPACN-[1-(4-methoxyphenyl)-3-(3-methoxypropylamino)-3-oxoprop-1-en-2-yl]benzamide
SMILESCOCCCNC(=O)C(=Cc1ccc(OC)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C21H24N2O4/c1-26-14-6-13-22-21(25)19(15-16-9-11-18(27-2)12-10-16)23-20(24)17-7-4-3-5-8-17/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyPYQKQIDXMZDFHU-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.62
Rot. Bonds9

About N-[1-(4-methoxyphenyl)-3-(3-methoxypropylamino)-3-oxoprop-1-en-2-yl]benzamide

N-[1-(4-methoxyphenyl)-3-(3-methoxypropylamino)-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 3726338) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-3-(3-methoxypropylamino)-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-3-(3-methoxypropylamino)-3-oxoprop-1-en-2-yl]benzamide
PubChem CID3726338
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[1-(4-methoxyphenyl)-3-(3-methoxypropylamino)-3-oxoprop-1-en-2-yl]benzamide
SMILESCOCCCNC(=O)C(=Cc1ccc(OC)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C21H24N2O4/c1-26-14-6-13-22-21(25)19(15-16-9-11-18(27-2)12-10-16)23-20(24)17-7-4-3-5-8-17/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyPYQKQIDXMZDFHU-UHFFFAOYSA-N
XLogP2.62
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
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-[(Z)-3-(2-methoxyethylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2232798
N-[3-(butylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 3094240
4-[[(Z)-2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]butanoate
CID 7381277
4-[[2-[(4-bromobenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoyl]amino]butanoic acid
CID 2909772
N-[(E)-1-[4-[(E)-2-benzamido-3-(octylamino)-3-oxoprop-1-enyl]phenyl]-3-(octylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 6367639
N-[(E)-3-anilino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 1083661
3-[[2-[(4-butoxybenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 3075202
N-[(E)-1-(4-methoxyphenyl)-3-oxo-3-(pyridin-4-ylmethylamino)prop-1-en-2-yl]benzamide
CID 1345628
N-[1-(furan-2-yl)-3-(3-methoxypropylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2873413
2-[[(E)-2-benzamido-3-(4-methoxyphenyl)prop-2-enoyl]amino]oxyacetic acid
CID 23571230
N-[3-(butylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 3633246
[4-[(E)-2-benzamido-3-(2-hydroxyethylamino)-3-oxoprop-1-enyl]phenyl] acetate
CID 5341103

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-3-(3-methoxypropylamino)-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-3-(3-methoxypropylamino)-3-oxoprop-1-en-2-yl]benzamide (CID 3726338) is N-[1-(4-methoxyphenyl)-3-(3-methoxypropylamino)-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-3-(3-methoxypropylamino)-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-3-(3-methoxypropylamino)-3-oxoprop-1-en-2-yl]benzamide is COCCCNC(=O)C(=Cc1ccc(OC)cc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-3-(3-methoxypropylamino)-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is PYQKQIDXMZDFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-14-6-13-22-21(25)19(15-16-9-11-18(27-2)12-10-16)23-20(24)17-7-4-3-5-8-17/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[1-(4-methoxyphenyl)-3-(3-methoxypropylamino)-3-oxoprop-1-en-2-yl]benzamide?
N-[1-(4-methoxyphenyl)-3-(3-methoxypropylamino)-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 368.43 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-3-(3-methoxypropylamino)-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 3726338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).