N-butyl-3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)prop-2-enamide

C19H25NO3 — CID 68980877

IUPACN-butyl-3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)prop-2-enamide
SMILESCCCCNC(=O)C=CC1=Cc2cc(OC)c(OC)cc2CC1
InChIInChI=1S/C19H25NO3/c1-4-5-10-20-19(21)9-7-14-6-8-15-12-17(22-2)18(23-3)13-16(15)11-14/h7,9,11-13H,4-6,8,10H2,1-3H3,(H,20,21)
InChIKeyNTILYLYATHIFDT-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.51
Rot. Bonds7

About N-butyl-3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)prop-2-enamide

N-butyl-3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)prop-2-enamide (PubChem CID 68980877) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is N-butyl-3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-butyl-3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)prop-2-enamide
PubChem CID68980877
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC NameN-butyl-3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)prop-2-enamide
SMILESCCCCNC(=O)C=CC1=Cc2cc(OC)c(OC)cc2CC1
InChIInChI=1S/C19H25NO3/c1-4-5-10-20-19(21)9-7-14-6-8-15-12-17(22-2)18(23-3)13-16(15)11-14/h7,9,11-13H,4-6,8,10H2,1-3H3,(H,20,21)
InChIKeyNTILYLYATHIFDT-UHFFFAOYSA-N
XLogP3.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.51
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

3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide
CID 3544026
(E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide
CID 6075607
3-(3,4-dimethoxyphenyl)-N-hexadecylprop-2-enamide
CID 3419575
N-decyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 75211078
(Z)-3-(3,4-dimethoxyphenyl)-N-[3-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 92928565
(E)-3-(3-bromo-4,5-dimethoxyphenyl)-N-hexylprop-2-enamide
CID 19201355
N-heptyl-3-(2-methoxyphenyl)prop-2-enamide
CID 3506378
(E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide
CID 52892563
(E)-N-butyl-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 71495784
(E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)prop-2-enamide
CID 52609236
(E)-3-(3,4-dimethoxyphenyl)-N-[3-[4-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide
CID 6277320
N-butyl-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropanamide
CID 108941425

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)prop-2-enamide?
The IUPAC name of N-butyl-3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)prop-2-enamide (CID 68980877) is N-butyl-3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)prop-2-enamide.
What is the SMILES notation for N-butyl-3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)prop-2-enamide?
The canonical SMILES for N-butyl-3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)prop-2-enamide is CCCCNC(=O)C=CC1=Cc2cc(OC)c(OC)cc2CC1.
What is the InChIKey of N-butyl-3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)prop-2-enamide?
The InChIKey is NTILYLYATHIFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-4-5-10-20-19(21)9-7-14-6-8-15-12-17(22-2)18(23-3)13-16(15)11-14/h7,9,11-13H,4-6,8,10H2,1-3H3,(H,20,21).
What are the key properties of N-butyl-3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)prop-2-enamide?
N-butyl-3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)prop-2-enamide has a molecular weight of 315.41 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)prop-2-enamide is sourced from PubChem (CID 68980877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).