N-butan-2-yl-3-(2,4-dimethoxyphenyl)prop-2-enamide

C15H21NO3 — CID 3598582

IUPACN-butan-2-yl-3-(2,4-dimethoxyphenyl)prop-2-enamide
SMILESCCC(C)NC(=O)C=Cc1ccc(OC)cc1OC
InChIInChI=1S/C15H21NO3/c1-5-11(2)16-15(17)9-7-12-6-8-13(18-3)10-14(12)19-4/h6-11H,5H2,1-4H3,(H,16,17)
InChIKeyNPERHIGIUSUQBW-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.63
Rot. Bonds6

About N-butan-2-yl-3-(2,4-dimethoxyphenyl)prop-2-enamide

N-butan-2-yl-3-(2,4-dimethoxyphenyl)prop-2-enamide (PubChem CID 3598582) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-butan-2-yl-3-(2,4-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(2,4-dimethoxyphenyl)prop-2-enamide
PubChem CID3598582
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-butan-2-yl-3-(2,4-dimethoxyphenyl)prop-2-enamide
SMILESCCC(C)NC(=O)C=Cc1ccc(OC)cc1OC
InChIInChI=1S/C15H21NO3/c1-5-11(2)16-15(17)9-7-12-6-8-13(18-3)10-14(12)19-4/h6-11H,5H2,1-4H3,(H,16,17)
InChIKeyNPERHIGIUSUQBW-UHFFFAOYSA-N
XLogP2.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.63
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

2-[3-(2,4-dimethoxyphenyl)prop-2-enoylamino]-3-methylpentanamide
CID 78773077
2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 82043566
(2R)-2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 92920815
(1E,6E)-1,7-bis(2,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552465
(E)-3-(2,4-dimethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 9262378
(E)-N-[(2S)-butan-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 912474
(E)-N-[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 8962953
2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid
CID 102534632
(E)-3-(2,4-dimethoxyphenyl)-N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 20744202
3-(2,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 732638
N-[4-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-3-methylbutanamide
CID 33027219
N-butan-2-yl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 2789629

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(2,4-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of N-butan-2-yl-3-(2,4-dimethoxyphenyl)prop-2-enamide (CID 3598582) is N-butan-2-yl-3-(2,4-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-butan-2-yl-3-(2,4-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-butan-2-yl-3-(2,4-dimethoxyphenyl)prop-2-enamide is CCC(C)NC(=O)C=Cc1ccc(OC)cc1OC.
What is the InChIKey of N-butan-2-yl-3-(2,4-dimethoxyphenyl)prop-2-enamide?
The InChIKey is NPERHIGIUSUQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-5-11(2)16-15(17)9-7-12-6-8-13(18-3)10-14(12)19-4/h6-11H,5H2,1-4H3,(H,16,17).
What are the key properties of N-butan-2-yl-3-(2,4-dimethoxyphenyl)prop-2-enamide?
N-butan-2-yl-3-(2,4-dimethoxyphenyl)prop-2-enamide has a molecular weight of 263.34 g/mol, XLogP of 2.63, 6 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-(2,4-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 3598582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).