(Z)-2-acetamido-N-butyl-3-(4-methoxyphenyl)prop-2-enamide

C16H22N2O3 — CID 102005340

IUPAC(Z)-2-acetamido-N-butyl-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCCCNC(=O)/C(=C/c1ccc(OC)cc1)NC(C)=O
InChIInChI=1S/C16H22N2O3/c1-4-5-10-17-16(20)15(18-12(2)19)11-13-6-8-14(21-3)9-7-13/h6-9,11H,4-5,10H2,1-3H3,(H,17,20)(H,18,19)/b15-11-
InChIKeyADBYFZVCAYFDCT-PTNGSMBKSA-N
MW290.36 g/mol
LogP2.09
Rot. Bonds7

About (Z)-2-acetamido-N-butyl-3-(4-methoxyphenyl)prop-2-enamide

(Z)-2-acetamido-N-butyl-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 102005340) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (Z)-2-acetamido-N-butyl-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-acetamido-N-butyl-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID102005340
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(Z)-2-acetamido-N-butyl-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCCCNC(=O)/C(=C/c1ccc(OC)cc1)NC(C)=O
InChIInChI=1S/C16H22N2O3/c1-4-5-10-17-16(20)15(18-12(2)19)11-13-6-8-14(21-3)9-7-13/h6-9,11H,4-5,10H2,1-3H3,(H,17,20)(H,18,19)/b15-11-
InChIKeyADBYFZVCAYFDCT-PTNGSMBKSA-N
XLogP2.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[3-(butylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 3094240
N-butyl-3-(furan-2-yl)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]prop-2-enamide
CID 2929014
3-[[2-[(4-butoxybenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 3075202
N-[1-(4-methoxyphenyl)-3-(3-methoxypropylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 3726338
N-[(Z)-3-(2-methoxyethylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2232798
4-[[2-[(4-bromobenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoyl]amino]butanoic acid
CID 2909772
N-[(Z)-3-(butylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-4-methoxybenzamide
CID 100723259
(Z)-2-acetamido-N-(4-methoxyphenyl)-3-phenylprop-2-enamide
CID 5371270
2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 4925589
(Z)-2-acetamido-N-[(4-butoxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide
CID 46762320
N-[3-(butylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 3633246
(E)-N-(hexadecylcarbamothioyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 6276241

Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-N-butyl-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-acetamido-N-butyl-3-(4-methoxyphenyl)prop-2-enamide (CID 102005340) is (Z)-2-acetamido-N-butyl-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-acetamido-N-butyl-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-acetamido-N-butyl-3-(4-methoxyphenyl)prop-2-enamide is CCCCNC(=O)/C(=C/c1ccc(OC)cc1)NC(C)=O.
What is the InChIKey of (Z)-2-acetamido-N-butyl-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is ADBYFZVCAYFDCT-PTNGSMBKSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-5-10-17-16(20)15(18-12(2)19)11-13-6-8-14(21-3)9-7-13/h6-9,11H,4-5,10H2,1-3H3,(H,17,20)(H,18,19)/b15-11-.
What are the key properties of (Z)-2-acetamido-N-butyl-3-(4-methoxyphenyl)prop-2-enamide?
(Z)-2-acetamido-N-butyl-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 290.36 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-N-butyl-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 102005340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).