(E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide

C17H25NO3 — CID 52892563

IUPAC(E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide
SMILESCCCCOc1ccc(/C=C/C(=O)NCCC)cc1OC
InChIInChI=1S/C17H25NO3/c1-4-6-12-21-15-9-7-14(13-16(15)20-3)8-10-17(19)18-11-5-2/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,19)/b10-8+
InChIKeyHCQBWPAMOACQPF-CSKARUKUSA-N
MW291.39 g/mol
LogP3.41
Rot. Bonds9

About (E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide

(E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide (PubChem CID 52892563) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide
PubChem CID52892563
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide
SMILESCCCCOc1ccc(/C=C/C(=O)NCCC)cc1OC
InChIInChI=1S/C17H25NO3/c1-4-6-12-21-15-9-7-14(13-16(15)20-3)8-10-17(19)18-11-5-2/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,19)/b10-8+
InChIKeyHCQBWPAMOACQPF-CSKARUKUSA-N
XLogP3.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.41
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

2-[[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 102535095
3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide
CID 3544026
(E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)prop-2-enamide
CID 52609236
(E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide
CID 6075607
3-(3,4-dimethoxyphenyl)-N-hexadecylprop-2-enamide
CID 3419575
3-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 5217365
2-[[(E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 102534546
3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide
CID 102603082
(Z)-3-(3,4-dimethoxyphenyl)-N-[3-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 92928565
(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl chloride
CID 21322652
3-(4-methoxy-3-pentoxyphenyl)-N-[2-(4-pentoxyphenyl)ethyl]prop-2-enamide
CID 54554970
3-(4-butoxy-3-methoxyphenyl)-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 78770033

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide?
The IUPAC name of (E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide (CID 52892563) is (E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide?
The canonical SMILES for (E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide is CCCCOc1ccc(/C=C/C(=O)NCCC)cc1OC.
What is the InChIKey of (E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide?
The InChIKey is HCQBWPAMOACQPF-CSKARUKUSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-6-12-21-15-9-7-14(13-16(15)20-3)8-10-17(19)18-11-5-2/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,19)/b10-8+.
What are the key properties of (E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide?
(E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide has a molecular weight of 291.39 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide is sourced from PubChem (CID 52892563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).