(Z)-3-(1H-indol-3-yl)-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylprop-2-enamide

C24H25N3O2 — CID 155277918

IUPAC(Z)-3-(1H-indol-3-yl)-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)/C=C/c1ccc(C)cc1
InChIInChI=1S/C24H25N3O2/c1-3-14-25-24(29)22(15-19-16-26-21-7-5-4-6-20(19)21)27-23(28)13-12-18-10-8-17(2)9-11-18/h4-13,15-16,26H,3,14H2,1-2H3,(H,25,29)(H,27,28)/b13-12+,22-15-
InChIKeyYTLJVNXQYCKPSL-NQMXVTNKSA-N
MW387.48 g/mol
LogP4.17
Rot. Bonds7

About (Z)-3-(1H-indol-3-yl)-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylprop-2-enamide

(Z)-3-(1H-indol-3-yl)-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylprop-2-enamide (PubChem CID 155277918) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is (Z)-3-(1H-indol-3-yl)-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(1H-indol-3-yl)-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylprop-2-enamide
PubChem CID155277918
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name(Z)-3-(1H-indol-3-yl)-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)/C=C/c1ccc(C)cc1
InChIInChI=1S/C24H25N3O2/c1-3-14-25-24(29)22(15-19-16-26-21-7-5-4-6-20(19)21)27-23(28)13-12-18-10-8-17(2)9-11-18/h4-13,15-16,26H,3,14H2,1-2H3,(H,25,29)(H,27,28)/b13-12+,22-15-
InChIKeyYTLJVNXQYCKPSL-NQMXVTNKSA-N
XLogP4.17
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(1H-indol-3-yl)-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide
CID 155277964
(Z)-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-phenyl-N-propylprop-2-enamide
CID 155278061
N-[(Z)-3-[2-(1H-indol-3-yl)ethylamino]-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-3-methylbenzamide
CID 2245782
(Z)-3-[4-(dimethylamino)phenyl]-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide
CID 155277948
N-[(Z)-1-(1H-indol-3-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide
CID 19059519
(2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)-N-propylpenta-2,4-dienamide
CID 155277984
[(E)-1-(1H-indol-3-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]carbamic acid
CID 67853578
[1-(1H-indol-3-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]carbamic acid
CID 67853573
(E)-1-(1H-indol-3-yl)-3-(4-methylphenyl)prop-2-en-1-one
CID 15122795
N-[1-[4-(dimethylamino)phenyl]-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 3302604
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide
CID 54348960
N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]-4-methylbenzamide
CID 2909911

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1H-indol-3-yl)-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylprop-2-enamide?
The IUPAC name of (Z)-3-(1H-indol-3-yl)-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylprop-2-enamide (CID 155277918) is (Z)-3-(1H-indol-3-yl)-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylprop-2-enamide.
What is the SMILES notation for (Z)-3-(1H-indol-3-yl)-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylprop-2-enamide?
The canonical SMILES for (Z)-3-(1H-indol-3-yl)-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylprop-2-enamide is CCCNC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)/C=C/c1ccc(C)cc1.
What is the InChIKey of (Z)-3-(1H-indol-3-yl)-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylprop-2-enamide?
The InChIKey is YTLJVNXQYCKPSL-NQMXVTNKSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-3-14-25-24(29)22(15-19-16-26-21-7-5-4-6-20(19)21)27-23(28)13-12-18-10-8-17(2)9-11-18/h4-13,15-16,26H,3,14H2,1-2H3,(H,25,29)(H,27,28)/b13-12+,22-15-.
What are the key properties of (Z)-3-(1H-indol-3-yl)-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylprop-2-enamide?
(Z)-3-(1H-indol-3-yl)-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylprop-2-enamide has a molecular weight of 387.48 g/mol, XLogP of 4.17, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1H-indol-3-yl)-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylprop-2-enamide is sourced from PubChem (CID 155277918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).