(Z)-N-(1-adamantyl)-3-phenyl-2-(3-phenylprop-2-enoylamino)prop-2-enamide

C28H30N2O2 — CID 155277986

IUPAC(Z)-N-(1-adamantyl)-3-phenyl-2-(3-phenylprop-2-enoylamino)prop-2-enamide
SMILESO=C(C=Cc1ccccc1)N/C(=C\c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C28H30N2O2/c31-26(12-11-20-7-3-1-4-8-20)29-25(16-21-9-5-2-6-10-21)27(32)30-28-17-22-13-23(18-28)15-24(14-22)19-28/h1-12,16,22-24H,13-15,17-19H2,(H,29,31)(H,30,32)/b12-11?,25-16-
InChIKeyUEXUJIDZLPPZIN-JVEOPFRXSA-N
MW426.56 g/mol
LogP4.94
Rot. Bonds6

About (Z)-N-(1-adamantyl)-3-phenyl-2-(3-phenylprop-2-enoylamino)prop-2-enamide

(Z)-N-(1-adamantyl)-3-phenyl-2-(3-phenylprop-2-enoylamino)prop-2-enamide (PubChem CID 155277986) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is (Z)-N-(1-adamantyl)-3-phenyl-2-(3-phenylprop-2-enoylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(1-adamantyl)-3-phenyl-2-(3-phenylprop-2-enoylamino)prop-2-enamide
PubChem CID155277986
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC Name(Z)-N-(1-adamantyl)-3-phenyl-2-(3-phenylprop-2-enoylamino)prop-2-enamide
SMILESO=C(C=Cc1ccccc1)N/C(=C\c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C28H30N2O2/c31-26(12-11-20-7-3-1-4-8-20)29-25(16-21-9-5-2-6-10-21)27(32)30-28-17-22-13-23(18-28)15-24(14-22)19-28/h1-12,16,22-24H,13-15,17-19H2,(H,29,31)(H,30,32)/b12-11?,25-16-
InChIKeyUEXUJIDZLPPZIN-JVEOPFRXSA-N
XLogP4.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-(1-adamantyl)-3-phenyl-2-(3-phenylprop-2-enoylamino)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid
CID 92899678
(Z)-N-butan-2-yl-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
CID 155297574
(E)-N-(1-adamantyl)-3-(3-fluorophenyl)prop-2-enamide
CID 7732530
(E)-N-[(Z)-3-oxo-1-phenyl-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide
CID 155278050
(E)-N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide
CID 2295931
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
(Z)-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-phenyl-N-propylprop-2-enamide
CID 155278061
N-(1-adamantyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 3608484
(E)-N-(1-adamantyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 31242188
(Z)-N-[(2E,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
CID 155297575
(Z)-3-[4-(dimethylamino)phenyl]-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide
CID 155277948
(2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienoic acid
CID 155299093

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-adamantyl)-3-phenyl-2-(3-phenylprop-2-enoylamino)prop-2-enamide?
The IUPAC name of (Z)-N-(1-adamantyl)-3-phenyl-2-(3-phenylprop-2-enoylamino)prop-2-enamide (CID 155277986) is (Z)-N-(1-adamantyl)-3-phenyl-2-(3-phenylprop-2-enoylamino)prop-2-enamide.
What is the SMILES notation for (Z)-N-(1-adamantyl)-3-phenyl-2-(3-phenylprop-2-enoylamino)prop-2-enamide?
The canonical SMILES for (Z)-N-(1-adamantyl)-3-phenyl-2-(3-phenylprop-2-enoylamino)prop-2-enamide is O=C(C=Cc1ccccc1)N/C(=C\c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (Z)-N-(1-adamantyl)-3-phenyl-2-(3-phenylprop-2-enoylamino)prop-2-enamide?
The InChIKey is UEXUJIDZLPPZIN-JVEOPFRXSA-N. The full InChI is InChI=1S/C28H30N2O2/c31-26(12-11-20-7-3-1-4-8-20)29-25(16-21-9-5-2-6-10-21)27(32)30-28-17-22-13-23(18-28)15-24(14-22)19-28/h1-12,16,22-24H,13-15,17-19H2,(H,29,31)(H,30,32)/b12-11?,25-16-.
What are the key properties of (Z)-N-(1-adamantyl)-3-phenyl-2-(3-phenylprop-2-enoylamino)prop-2-enamide?
(Z)-N-(1-adamantyl)-3-phenyl-2-(3-phenylprop-2-enoylamino)prop-2-enamide has a molecular weight of 426.56 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-adamantyl)-3-phenyl-2-(3-phenylprop-2-enoylamino)prop-2-enamide is sourced from PubChem (CID 155277986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).