(Z)-3-[4-(dimethylamino)phenyl]-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide

C23H27N3O2 — CID 155277948

IUPAC(Z)-3-[4-(dimethylamino)phenyl]-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)C=Cc1ccccc1
InChIInChI=1S/C23H27N3O2/c1-4-16-24-23(28)21(17-19-10-13-20(14-11-19)26(2)3)25-22(27)15-12-18-8-6-5-7-9-18/h5-15,17H,4,16H2,1-3H3,(H,24,28)(H,25,27)/b15-12?,21-17-
InChIKeyWULCMYBGZFQTAC-PFLLCBFYSA-N
MW377.49 g/mol
LogP3.45
Rot. Bonds8

About (Z)-3-[4-(dimethylamino)phenyl]-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide

(Z)-3-[4-(dimethylamino)phenyl]-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide (PubChem CID 155277948) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (Z)-3-[4-(dimethylamino)phenyl]-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[4-(dimethylamino)phenyl]-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide
PubChem CID155277948
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name(Z)-3-[4-(dimethylamino)phenyl]-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)C=Cc1ccccc1
InChIInChI=1S/C23H27N3O2/c1-4-16-24-23(28)21(17-19-10-13-20(14-11-19)26(2)3)25-22(27)15-12-18-8-6-5-7-9-18/h5-15,17H,4,16H2,1-3H3,(H,24,28)(H,25,27)/b15-12?,21-17-
InChIKeyWULCMYBGZFQTAC-PFLLCBFYSA-N
XLogP3.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-phenyl-N-propylprop-2-enamide
CID 155278061
3-[4-(dimethylamino)phenyl]-N-propylprop-2-enamide
CID 73010677
(2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)-N-propylpenta-2,4-dienamide
CID 155277984
N-[1-[4-(dimethylamino)phenyl]-3-(hexylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 3648747
(Z)-3-(1H-indol-3-yl)-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide
CID 155277964
(Z)-N-butan-2-yl-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
CID 155297574
(Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid
CID 92899678
2-[[(E)-2-benzamido-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]acetate
CID 7032257
N-[1-[4-(dimethylamino)phenyl]-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide
CID 3093528
2-[[(E)-3-(4-methoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]acetate
CID 7381134
(Z)-3-(1H-indol-3-yl)-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylprop-2-enamide
CID 155277918
(E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide
CID 11956153

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-(dimethylamino)phenyl]-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide?
The IUPAC name of (Z)-3-[4-(dimethylamino)phenyl]-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide (CID 155277948) is (Z)-3-[4-(dimethylamino)phenyl]-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide.
What is the SMILES notation for (Z)-3-[4-(dimethylamino)phenyl]-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide?
The canonical SMILES for (Z)-3-[4-(dimethylamino)phenyl]-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide is CCCNC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)C=Cc1ccccc1.
What is the InChIKey of (Z)-3-[4-(dimethylamino)phenyl]-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide?
The InChIKey is WULCMYBGZFQTAC-PFLLCBFYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-4-16-24-23(28)21(17-19-10-13-20(14-11-19)26(2)3)25-22(27)15-12-18-8-6-5-7-9-18/h5-15,17H,4,16H2,1-3H3,(H,24,28)(H,25,27)/b15-12?,21-17-.
What are the key properties of (Z)-3-[4-(dimethylamino)phenyl]-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide?
(Z)-3-[4-(dimethylamino)phenyl]-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide has a molecular weight of 377.49 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-(dimethylamino)phenyl]-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide is sourced from PubChem (CID 155277948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).