(3E)-N-[3-cyclopropylidene-1-(furan-2-yl)-3-methoxypropyl]-4-(4-phenylphenyl)buta-1,3-dien-2-amine

C27H27NO2 — CID 89378134

IUPAC(3E)-N-[3-cyclopropylidene-1-(furan-2-yl)-3-methoxypropyl]-4-(4-phenylphenyl)buta-1,3-dien-2-amine
SMILESC=C(/C=C/c1ccc(-c2ccccc2)cc1)NC(CC(OC)=C1CC1)c1ccco1
InChIInChI=1S/C27H27NO2/c1-20(10-11-21-12-14-23(15-13-21)22-7-4-3-5-8-22)28-25(26-9-6-18-30-26)19-27(29-2)24-16-17-24/h3-15,18,25,28H,1,16-17,19H2,2H3/b11-10+
InChIKeyAWQLMAYXURBDKN-ZHACJKMWSA-N
MW397.52 g/mol
LogP6.89
Rot. Bonds9

About (3E)-N-[3-cyclopropylidene-1-(furan-2-yl)-3-methoxypropyl]-4-(4-phenylphenyl)buta-1,3-dien-2-amine

(3E)-N-[3-cyclopropylidene-1-(furan-2-yl)-3-methoxypropyl]-4-(4-phenylphenyl)buta-1,3-dien-2-amine (PubChem CID 89378134) has the molecular formula C27H27NO2 and a molecular weight of 397.52 g/mol. Its IUPAC name is (3E)-N-[3-cyclopropylidene-1-(furan-2-yl)-3-methoxypropyl]-4-(4-phenylphenyl)buta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-N-[3-cyclopropylidene-1-(furan-2-yl)-3-methoxypropyl]-4-(4-phenylphenyl)buta-1,3-dien-2-amine
PubChem CID89378134
Molecular FormulaC27H27NO2
Molecular Weight397.52 g/mol
Exact Mass397.20
IUPAC Name(3E)-N-[3-cyclopropylidene-1-(furan-2-yl)-3-methoxypropyl]-4-(4-phenylphenyl)buta-1,3-dien-2-amine
SMILESC=C(/C=C/c1ccc(-c2ccccc2)cc1)NC(CC(OC)=C1CC1)c1ccco1
InChIInChI=1S/C27H27NO2/c1-20(10-11-21-12-14-23(15-13-21)22-7-4-3-5-8-22)28-25(26-9-6-18-30-26)19-27(29-2)24-16-17-24/h3-15,18,25,28H,1,16-17,19H2,2H3/b11-10+
InChIKeyAWQLMAYXURBDKN-ZHACJKMWSA-N
XLogP6.89
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-(furan-2-yl)-3-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]propanoic acid
CID 59752804
trimethyl-[4-(4-phenylphenyl)buta-1,3-dien-2-yloxy]silane
CID 85401954
(E)-N-[(1R)-1-(furan-2-yl)ethyl]-3-phenylprop-2-enamide
CID 8856139
N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline
CID 3147174
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]propanoate
CID 59752693
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 9334139
[methoxy(dimethyl)silyl]methyl (E)-3-[4-(4-phenylphenyl)phenyl]prop-2-enoate
CID 21307548
N-(4-phenylbuta-1,3-dien-2-yl)hydroxylamine
CID 5080488
[(1Z)-3-methoxybuta-1,3-dienyl]benzene
CID 24972289
(E)-N-[(R)-furan-2-yl(phenyl)methyl]-3-phenylprop-2-enamide
CID 8928142
4-methoxy-4-oxo-2-(3-phenylprop-2-enoylamino)butanoic acid
CID 71325831
(3R)-3-[(2,2-diphenylacetyl)amino]-3-(furan-2-yl)propanoic acid
CID 2235057

Frequently Asked Questions

What is the IUPAC name of (3E)-N-[3-cyclopropylidene-1-(furan-2-yl)-3-methoxypropyl]-4-(4-phenylphenyl)buta-1,3-dien-2-amine?
The IUPAC name of (3E)-N-[3-cyclopropylidene-1-(furan-2-yl)-3-methoxypropyl]-4-(4-phenylphenyl)buta-1,3-dien-2-amine (CID 89378134) is (3E)-N-[3-cyclopropylidene-1-(furan-2-yl)-3-methoxypropyl]-4-(4-phenylphenyl)buta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-N-[3-cyclopropylidene-1-(furan-2-yl)-3-methoxypropyl]-4-(4-phenylphenyl)buta-1,3-dien-2-amine?
The canonical SMILES for (3E)-N-[3-cyclopropylidene-1-(furan-2-yl)-3-methoxypropyl]-4-(4-phenylphenyl)buta-1,3-dien-2-amine is C=C(/C=C/c1ccc(-c2ccccc2)cc1)NC(CC(OC)=C1CC1)c1ccco1.
What is the InChIKey of (3E)-N-[3-cyclopropylidene-1-(furan-2-yl)-3-methoxypropyl]-4-(4-phenylphenyl)buta-1,3-dien-2-amine?
The InChIKey is AWQLMAYXURBDKN-ZHACJKMWSA-N. The full InChI is InChI=1S/C27H27NO2/c1-20(10-11-21-12-14-23(15-13-21)22-7-4-3-5-8-22)28-25(26-9-6-18-30-26)19-27(29-2)24-16-17-24/h3-15,18,25,28H,1,16-17,19H2,2H3/b11-10+.
What are the key properties of (3E)-N-[3-cyclopropylidene-1-(furan-2-yl)-3-methoxypropyl]-4-(4-phenylphenyl)buta-1,3-dien-2-amine?
(3E)-N-[3-cyclopropylidene-1-(furan-2-yl)-3-methoxypropyl]-4-(4-phenylphenyl)buta-1,3-dien-2-amine has a molecular weight of 397.52 g/mol, XLogP of 6.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-[3-cyclopropylidene-1-(furan-2-yl)-3-methoxypropyl]-4-(4-phenylphenyl)buta-1,3-dien-2-amine is sourced from PubChem (CID 89378134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).