(Z)-3-(1H-indol-3-yl)-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide

C23H23N3O2 — CID 155277964

IUPAC(Z)-3-(1H-indol-3-yl)-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)C=Cc1ccccc1
InChIInChI=1S/C23H23N3O2/c1-2-14-24-23(28)21(15-18-16-25-20-11-7-6-10-19(18)20)26-22(27)13-12-17-8-4-3-5-9-17/h3-13,15-16,25H,2,14H2,1H3,(H,24,28)(H,26,27)/b13-12?,21-15-
InChIKeySSOWSBHHVTTXRB-IBZHRFQJSA-N
MW373.46 g/mol
LogP3.86
Rot. Bonds7

About (Z)-3-(1H-indol-3-yl)-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide

(Z)-3-(1H-indol-3-yl)-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide (PubChem CID 155277964) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is (Z)-3-(1H-indol-3-yl)-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(1H-indol-3-yl)-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide
PubChem CID155277964
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name(Z)-3-(1H-indol-3-yl)-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)C=Cc1ccccc1
InChIInChI=1S/C23H23N3O2/c1-2-14-24-23(28)21(15-18-16-25-20-11-7-6-10-19(18)20)26-22(27)13-12-17-8-4-3-5-9-17/h3-13,15-16,25H,2,14H2,1H3,(H,24,28)(H,26,27)/b13-12?,21-15-
InChIKeySSOWSBHHVTTXRB-IBZHRFQJSA-N
XLogP3.86
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.86
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-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylprop-2-enamide
CID 155277918
(Z)-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-phenyl-N-propylprop-2-enamide
CID 155278061
(2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)-N-propylpenta-2,4-dienamide
CID 155277984
(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
[(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
2-[[(E)-3-(1H-indol-3-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoyl]amino]acetic acid
CID 171983393
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide
CID 54348960
N-(2-tert-butylsulfanylethyl)-3-(1H-indol-3-yl)prop-2-enamide
CID 3860366
N-[(E)-1-(1H-indol-3-yl)-3-oxo-3-[(3,4,5-trimethoxyphenyl)methylamino]prop-1-en-2-yl]benzamide
CID 124658230
N-[(Z)-3-[(3,4-dimethoxyphenyl)methylamino]-1-(1H-indol-3-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 19059503

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1H-indol-3-yl)-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide?
The IUPAC name of (Z)-3-(1H-indol-3-yl)-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide (CID 155277964) is (Z)-3-(1H-indol-3-yl)-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide.
What is the SMILES notation for (Z)-3-(1H-indol-3-yl)-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide?
The canonical SMILES for (Z)-3-(1H-indol-3-yl)-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide is CCCNC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)C=Cc1ccccc1.
What is the InChIKey of (Z)-3-(1H-indol-3-yl)-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide?
The InChIKey is SSOWSBHHVTTXRB-IBZHRFQJSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-2-14-24-23(28)21(15-18-16-25-20-11-7-6-10-19(18)20)26-22(27)13-12-17-8-4-3-5-9-17/h3-13,15-16,25H,2,14H2,1H3,(H,24,28)(H,26,27)/b13-12?,21-15-.
What are the key properties of (Z)-3-(1H-indol-3-yl)-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide?
(Z)-3-(1H-indol-3-yl)-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide has a molecular weight of 373.46 g/mol, XLogP of 3.86, 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-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide is sourced from PubChem (CID 155277964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).