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

C16H23NO3 — CID 2789629

IUPACN-butan-2-yl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(C=CC(=O)NC(C)CC)cc1OC
InChIInChI=1S/C16H23NO3/c1-5-12(3)17-16(18)10-8-13-7-9-14(20-6-2)15(11-13)19-4/h7-12H,5-6H2,1-4H3,(H,17,18)
InChIKeyKINRWHSJPDHIPH-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.02
Rot. Bonds7

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

N-butan-2-yl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide (PubChem CID 2789629) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-butan-2-yl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
PubChem CID2789629
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-butan-2-yl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(C=CC(=O)NC(C)CC)cc1OC
InChIInChI=1S/C16H23NO3/c1-5-12(3)17-16(18)10-8-13-7-9-14(20-6-2)15(11-13)19-4/h7-12H,5-6H2,1-4H3,(H,17,18)
InChIKeyKINRWHSJPDHIPH-UHFFFAOYSA-N
XLogP3.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(2S)-butan-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 912474
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
CID 78857517
(E)-N-butan-2-yl-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
CID 19172071
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 78771438
3-(4-butoxy-3-methoxyphenyl)-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 78770033
(2R)-2-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 92926240
(E)-N-(2-aminopropyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 82354203
3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-propan-2-ylprop-2-enamide
CID 73422617
3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 912467
N-butan-2-yl-2-[[(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]propanamide
CID 47082648
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide
CID 86942712
3-(3-methoxy-4-propoxyphenyl)-N-(3-methylbutan-2-yl)prop-2-enamide
CID 76859005

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-butan-2-yl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide (CID 2789629) is N-butan-2-yl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-butan-2-yl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-butan-2-yl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide is CCOc1ccc(C=CC(=O)NC(C)CC)cc1OC.
What is the InChIKey of N-butan-2-yl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide?
The InChIKey is KINRWHSJPDHIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-5-12(3)17-16(18)10-8-13-7-9-14(20-6-2)15(11-13)19-4/h7-12H,5-6H2,1-4H3,(H,17,18).
What are the key properties of N-butan-2-yl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide?
N-butan-2-yl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide has a molecular weight of 277.36 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2789629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).