(E)-3-[4-(methoxymethoxy)phenyl]-N,N-dipropylprop-2-enamide

C17H25NO3 — CID 110498588

IUPAC(E)-3-[4-(methoxymethoxy)phenyl]-N,N-dipropylprop-2-enamide
SMILESCCCN(CCC)C(=O)/C=C/c1ccc(OCOC)cc1
InChIInChI=1S/C17H25NO3/c1-4-12-18(13-5-2)17(19)11-8-15-6-9-16(10-7-15)21-14-20-3/h6-11H,4-5,12-14H2,1-3H3/b11-8+
InChIKeyQZXCVDPFTHEPSG-DHZHZOJOSA-N
MW291.39 g/mol
LogP3.33
Rot. Bonds9

About (E)-3-[4-(methoxymethoxy)phenyl]-N,N-dipropylprop-2-enamide

(E)-3-[4-(methoxymethoxy)phenyl]-N,N-dipropylprop-2-enamide (PubChem CID 110498588) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (E)-3-[4-(methoxymethoxy)phenyl]-N,N-dipropylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(methoxymethoxy)phenyl]-N,N-dipropylprop-2-enamide
PubChem CID110498588
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(E)-3-[4-(methoxymethoxy)phenyl]-N,N-dipropylprop-2-enamide
SMILESCCCN(CCC)C(=O)/C=C/c1ccc(OCOC)cc1
InChIInChI=1S/C17H25NO3/c1-4-12-18(13-5-2)17(19)11-8-15-6-9-16(10-7-15)21-14-20-3/h6-11H,4-5,12-14H2,1-3H3/b11-8+
InChIKeyQZXCVDPFTHEPSG-DHZHZOJOSA-N
XLogP3.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[[(E)-3-[4-(methoxymethoxy)phenyl]prop-2-enoyl]-propylamino]propanoic acid
CID 110498642
3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide
CID 3500968
2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-propylamino]acetic acid
CID 61012497
3-(4-ethoxyphenyl)-N,N-diethylprop-2-enamide
CID 73010710
(E)-N-benzyl-3-[4-(methoxymethoxy)phenyl]-N-methylprop-2-enamide
CID 110498603
3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-ethylamino]propanoic acid
CID 61007958
1-(methoxymethoxy)-4-[2-[4-(methoxymethoxy)phenyl]ethenyl]benzene
CID 5098450
3-[ethyl-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 61008451
(E)-N-[3-(dimethylamino)propyl]-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110497194
(E)-3-(4-ethoxyphenyl)-N,N-dimethylprop-2-enamide
CID 28639843
(E)-N-(2-hydroxyethyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110497154
(E)-N-(2-methoxyethyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 55985412

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(methoxymethoxy)phenyl]-N,N-dipropylprop-2-enamide?
The IUPAC name of (E)-3-[4-(methoxymethoxy)phenyl]-N,N-dipropylprop-2-enamide (CID 110498588) is (E)-3-[4-(methoxymethoxy)phenyl]-N,N-dipropylprop-2-enamide.
What is the SMILES notation for (E)-3-[4-(methoxymethoxy)phenyl]-N,N-dipropylprop-2-enamide?
The canonical SMILES for (E)-3-[4-(methoxymethoxy)phenyl]-N,N-dipropylprop-2-enamide is CCCN(CCC)C(=O)/C=C/c1ccc(OCOC)cc1.
What is the InChIKey of (E)-3-[4-(methoxymethoxy)phenyl]-N,N-dipropylprop-2-enamide?
The InChIKey is QZXCVDPFTHEPSG-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-12-18(13-5-2)17(19)11-8-15-6-9-16(10-7-15)21-14-20-3/h6-11H,4-5,12-14H2,1-3H3/b11-8+.
What are the key properties of (E)-3-[4-(methoxymethoxy)phenyl]-N,N-dipropylprop-2-enamide?
(E)-3-[4-(methoxymethoxy)phenyl]-N,N-dipropylprop-2-enamide has a molecular weight of 291.39 g/mol, XLogP of 3.33, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(methoxymethoxy)phenyl]-N,N-dipropylprop-2-enamide is sourced from PubChem (CID 110498588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).