(E)-N-butan-2-yl-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide

C20H31NO3 — CID 19172071

IUPAC(E)-N-butan-2-yl-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
SMILESCCCCCCOc1ccc(/C=C/C(=O)NC(C)CC)cc1OC
InChIInChI=1S/C20H31NO3/c1-5-7-8-9-14-24-18-12-10-17(15-19(18)23-4)11-13-20(22)21-16(3)6-2/h10-13,15-16H,5-9,14H2,1-4H3,(H,21,22)/b13-11+
InChIKeyOBGXJLYEOZTUEZ-ACCUITESSA-N
MW333.47 g/mol
LogP4.58
Rot. Bonds11

About (E)-N-butan-2-yl-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide

(E)-N-butan-2-yl-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide (PubChem CID 19172071) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is (E)-N-butan-2-yl-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-butan-2-yl-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
PubChem CID19172071
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name(E)-N-butan-2-yl-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
SMILESCCCCCCOc1ccc(/C=C/C(=O)NC(C)CC)cc1OC
InChIInChI=1S/C20H31NO3/c1-5-7-8-9-14-24-18-12-10-17(15-19(18)23-4)11-13-20(22)21-16(3)6-2/h10-13,15-16H,5-9,14H2,1-4H3,(H,21,22)/b13-11+
InChIKeyOBGXJLYEOZTUEZ-ACCUITESSA-N
XLogP4.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.58
H-Bond Donors ≤ 51
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

3-(4-butoxy-3-methoxyphenyl)-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 78770033
N-butan-2-yl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 2789629
(E)-N-[(2S)-butan-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 912474
2-[[(E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]-3-methylbutanoic acid
CID 102534548
3-(3-methoxy-4-pentoxyphenyl)-N-(1-phenylethyl)prop-2-enamide
CID 4174981
3-(3-methoxy-4-propoxyphenyl)-N-(3-methylbutan-2-yl)prop-2-enamide
CID 76859005
3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide
CID 3433146
2-[[(E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 102534546
3-(4-hexoxy-3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 2791081
(E)-3-(4-hexoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 19166248
(E)-3-(4-hexoxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 102534554
(2S)-2-[3-(4-butoxy-3-methoxyphenyl)prop-2-enoylamino]-4-methylpentanoic acid
CID 175696183

Frequently Asked Questions

What is the IUPAC name of (E)-N-butan-2-yl-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-butan-2-yl-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide (CID 19172071) is (E)-N-butan-2-yl-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-butan-2-yl-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-butan-2-yl-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide is CCCCCCOc1ccc(/C=C/C(=O)NC(C)CC)cc1OC.
What is the InChIKey of (E)-N-butan-2-yl-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide?
The InChIKey is OBGXJLYEOZTUEZ-ACCUITESSA-N. The full InChI is InChI=1S/C20H31NO3/c1-5-7-8-9-14-24-18-12-10-17(15-19(18)23-4)11-13-20(22)21-16(3)6-2/h10-13,15-16H,5-9,14H2,1-4H3,(H,21,22)/b13-11+.
What are the key properties of (E)-N-butan-2-yl-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide?
(E)-N-butan-2-yl-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide has a molecular weight of 333.47 g/mol, XLogP of 4.58, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butan-2-yl-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 19172071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).