(2R)-2-(4-methylanilino)-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]propanamide

C20H23N3O — CID 129440267

IUPAC(2R)-2-(4-methylanilino)-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]propanamide
SMILESCC(/C=C\c1ccccc1)=NNC(=O)[C@@H](C)Nc1ccc(C)cc1
InChIInChI=1S/C20H23N3O/c1-15-9-13-19(14-10-15)21-17(3)20(24)23-22-16(2)11-12-18-7-5-4-6-8-18/h4-14,17,21H,1-3H3,(H,23,24)/b12-11-,22-16?/t17-/m1/s1
InChIKeyRQTBIRUIUVVLOE-IVTFCCETSA-N
MW321.42 g/mol
LogP4.00
Rot. Bonds6

About (2R)-2-(4-methylanilino)-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]propanamide

(2R)-2-(4-methylanilino)-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]propanamide (PubChem CID 129440267) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is (2R)-2-(4-methylanilino)-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-methylanilino)-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]propanamide
PubChem CID129440267
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name(2R)-2-(4-methylanilino)-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]propanamide
SMILESCC(/C=C\c1ccccc1)=NNC(=O)[C@@H](C)Nc1ccc(C)cc1
InChIInChI=1S/C20H23N3O/c1-15-9-13-19(14-10-15)21-17(3)20(24)23-22-16(2)11-12-18-7-5-4-6-8-18/h4-14,17,21H,1-3H3,(H,23,24)/b12-11-,22-16?/t17-/m1/s1
InChIKeyRQTBIRUIUVVLOE-IVTFCCETSA-N
XLogP4.00
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylanilino)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]propanamide
CID 11838215
2,2-diphenyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 129431826
N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511
methyl N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]carbamate
CID 7072066
N,N'-bis[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]octanediamide
CID 6321551
1,3-bis[(E)-4-phenylbut-3-en-2-ylideneamino]thiourea
CID 5466074
(2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 136670442
4-(3-methylbutanoylamino)-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 6117811
(2R)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390539
4-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]benzoic acid
CID 5378098
N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline
CID 6256661
(2R)-2-(2-methoxyanilino)-N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide
CID 51416670

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylanilino)-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]propanamide?
The IUPAC name of (2R)-2-(4-methylanilino)-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]propanamide (CID 129440267) is (2R)-2-(4-methylanilino)-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]propanamide.
What is the SMILES notation for (2R)-2-(4-methylanilino)-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]propanamide?
The canonical SMILES for (2R)-2-(4-methylanilino)-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]propanamide is CC(/C=C\c1ccccc1)=NNC(=O)[C@@H](C)Nc1ccc(C)cc1.
What is the InChIKey of (2R)-2-(4-methylanilino)-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]propanamide?
The InChIKey is RQTBIRUIUVVLOE-IVTFCCETSA-N. The full InChI is InChI=1S/C20H23N3O/c1-15-9-13-19(14-10-15)21-17(3)20(24)23-22-16(2)11-12-18-7-5-4-6-8-18/h4-14,17,21H,1-3H3,(H,23,24)/b12-11-,22-16?/t17-/m1/s1.
What are the key properties of (2R)-2-(4-methylanilino)-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]propanamide?
(2R)-2-(4-methylanilino)-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]propanamide has a molecular weight of 321.42 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylanilino)-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]propanamide is sourced from PubChem (CID 129440267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).