(E)-N-[4-[(2R)-butan-2-yl]phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide

C21H25NO3 — CID 7935696

IUPAC(E)-N-[4-[(2R)-butan-2-yl]phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
SMILESCC[C@@H](C)c1ccc(NC(=O)/C=C/c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C21H25NO3/c1-5-15(2)16-6-9-18(10-7-16)22-21(23)13-8-17-14-19(24-3)11-12-20(17)25-4/h6-15H,5H2,1-4H3,(H,22,23)/b13-8+/t15-/m1/s1
InChIKeySBKDBZQKEGBDKB-XETPBLJFSA-N
MW339.44 g/mol
LogP4.87
Rot. Bonds7

About (E)-N-[4-[(2R)-butan-2-yl]phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide

(E)-N-[4-[(2R)-butan-2-yl]phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide (PubChem CID 7935696) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is (E)-N-[4-[(2R)-butan-2-yl]phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[(2R)-butan-2-yl]phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
PubChem CID7935696
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name(E)-N-[4-[(2R)-butan-2-yl]phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
SMILESCC[C@@H](C)c1ccc(NC(=O)/C=C/c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C21H25NO3/c1-5-15(2)16-6-9-18(10-7-16)22-21(23)13-8-17-14-19(24-3)11-12-20(17)25-4/h6-15H,5H2,1-4H3,(H,22,23)/b13-8+/t15-/m1/s1
InChIKeySBKDBZQKEGBDKB-XETPBLJFSA-N
XLogP4.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.87
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)-3-(2,5-dimethoxyphenyl)-N-[4-(methylcarbamoylamino)phenyl]prop-2-enamide
CID 46518249
(E)-N-(3,4-diethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 8840134
(E)-3-(2,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7962122
(E)-N-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 2590710
(E)-3-(2,5-dimethoxyphenyl)-N-(3,4-dipropoxyphenyl)prop-2-enamide
CID 7924138
(E)-3-(2,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 2683290
N-[4-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-3-methylbutanamide
CID 33027219
N-(4-butan-2-ylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 4676710
3-(2,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 732638
N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide
CID 732464
N-[4-[[[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]amino]methyl]phenyl]-2-methylpropanamide
CID 55509565
N-[4-[1-[[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 55591052

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[(2R)-butan-2-yl]phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-[(2R)-butan-2-yl]phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide (CID 7935696) is (E)-N-[4-[(2R)-butan-2-yl]phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-[(2R)-butan-2-yl]phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-[(2R)-butan-2-yl]phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide is CC[C@@H](C)c1ccc(NC(=O)/C=C/c2cc(OC)ccc2OC)cc1.
What is the InChIKey of (E)-N-[4-[(2R)-butan-2-yl]phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide?
The InChIKey is SBKDBZQKEGBDKB-XETPBLJFSA-N. The full InChI is InChI=1S/C21H25NO3/c1-5-15(2)16-6-9-18(10-7-16)22-21(23)13-8-17-14-19(24-3)11-12-20(17)25-4/h6-15H,5H2,1-4H3,(H,22,23)/b13-8+/t15-/m1/s1.
What are the key properties of (E)-N-[4-[(2R)-butan-2-yl]phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide?
(E)-N-[4-[(2R)-butan-2-yl]phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide has a molecular weight of 339.44 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[(2R)-butan-2-yl]phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 7935696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).